data_2tmp_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 2tmp _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 3' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -119.57 109.54 38.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.98 131.37 14.24 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.537 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 9.2 p -155.05 -133.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.537 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.75 85.58 0.15 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.619 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.427 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -74.97 2.53 6.51 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.421 1.748 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.487 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.4 OUTLIER -139.72 -44.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.498 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.6 mt-30 -63.87 -5.24 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.599 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.03 -37.64 23.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.882 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.8 m-85 -87.01 -4.74 59.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -103.55 -15.12 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.338 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.28 -41.65 8.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.727 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.92 174.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.44 15.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 4.3 p -166.46 86.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.579 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.4 t -97.15 117.29 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.573 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -141.43 125.13 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.608 ' CZ ' ' CZ3' ' A' ' 107' ' ' TRP . 3.5 ttm180 -78.15 41.46 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.637 HG22 ' CE1' ' A' ' 84' ' ' TYR . 1.3 t -64.56 171.9 2.99 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 16.3 ptmt -126.12 120.08 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -90.89 108.1 19.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.487 ' CG1' HG12 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -110.08 -36.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.509 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -115.74 165.02 13.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.041 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.1 mp0 -149.44 -176.42 5.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.4 ttpt -149.7 111.88 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.579 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 3.0 tt0 -74.09 92.08 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.463 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 34.0 m -107.68 114.8 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.51 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.6 m-20 -56.76 160.13 3.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.47 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.3 t -144.05 16.77 1.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.414 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 78.12 177.64 48.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.052 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m120 -85.0 162.56 19.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.37 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.2 t0 -93.69 -161.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.523 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -81.63 0.64 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.61 -0.61 20.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.58 -8.36 77.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.454 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.33 152.69 78.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.27 13.13 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.458 1.767 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.47 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 64.3 mt -66.43 -79.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.579 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.1 tppt? 69.52 126.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.666 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -131.41 67.52 1.51 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -39.14 140.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.666 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 5.8 mm-40 -82.24 -179.76 7.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.363 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.86 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.44 69.12 1.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.945 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.509 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.9 tt0 -64.43 67.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.404 1.065 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.632 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.6 pt -64.61 -174.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 8.5 ttpt -120.47 -5.2 9.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER 56.7 113.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.481 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -123.23 -30.47 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -149.46 160.85 43.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.7 ptt? -145.8 70.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.585 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 37.9 m-85 -44.73 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.579 ' O ' ' N ' ' A' ' 18' ' ' VAL . 9.7 tptt -124.68 158.96 31.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.465 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 129.04 -143.36 14.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.429 1.081 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.438 ' CD ' HG21 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -74.98 -171.17 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -99.49 -33.7 10.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 110.244 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -72.84 -84.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.1 t70 153.61 165.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.378 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.522 ' CG2' ' HG2' ' A' ' 96' ' ' MET . 0.6 OUTLIER -117.7 74.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -66.94 -8.93 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.9 m-85 -131.35 91.96 3.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.518 HD11 ' CG ' ' A' ' 96' ' ' MET . 0.4 OUTLIER -96.09 168.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.626 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 7.4 m-85 -122.08 145.78 47.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.635 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 7.6 t -162.69 -168.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.482 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -99.06 154.66 37.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.567 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo -75.02 -161.01 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.549 1.815 . . . . 0.0 111.061 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.3 -169.84 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 110.066 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.645 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 1.9 t -56.19 -36.72 68.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.943 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.645 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 151.88 103.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -105.67 -39.06 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.512 ' O ' ' CG2' ' A' ' 99' ' ' THR . 15.4 m -132.35 26.75 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.324 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.488 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -162.21 -158.19 9.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.486 ' O ' ' C ' ' A' ' 75' ' ' SER . 84.4 t -116.08 -1.41 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER 32.39 84.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 110.041 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.86 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -103.91 133.37 49.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.479 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -121.09 1.8 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.1 t 71.36 -55.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.84 -10.61 4.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.443 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.44 -18.43 4.5 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.504 ' O ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -125.65 -94.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.515 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.17 -85.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.581 ' O ' ' O ' ' A' ' 106' ' ' PRO . 6.5 mp0 -145.75 156.42 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.826 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.8 p90 -141.63 151.86 43.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.694 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.42 3.39 28.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.826 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.94 105.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.74 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -132.33 112.45 12.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 90' ' ' ALA . . . -145.43 172.58 26.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.27 -29.01 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.573 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 79.26 176.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.533 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.3 tp10 -137.02 9.91 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.95 -120.58 3.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.443 1.089 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.19 143.05 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.45 -3.67 58.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.589 1.181 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -172.43 139.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.573 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -144.32 -171.95 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 111.052 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.422 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -122.84 128.48 50.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.544 ' CD1' HG13 ' A' ' 86' ' ' ILE . 4.6 pt -141.71 133.86 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.534 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -137.36 165.32 26.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.376 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.488 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -60.14 -45.8 91.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.48 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -64.62 -15.86 61.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 108.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 11.0 t0 -93.38 171.26 9.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.882 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -72.69 116.05 12.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.534 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.5 pt -165.21 132.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.77 157.26 32.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.6 Cg_endo -74.94 5.32 4.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.048 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.608 ' CZ3' ' CZ ' ' A' ' 20' ' ' ARG . 5.1 t90 77.6 -57.33 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.538 ' O ' ' CG2' ' A' ' 109' ' ' THR . 22.7 t70 -70.03 51.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.683 ' O ' ' C ' ' A' ' 110' ' ' LEU . 17.3 p -158.89 -56.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.683 ' C ' ' O ' ' A' ' 109' ' ' THR . 49.9 mt 10.63 -107.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 146.55 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.64 -65.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.367 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 50.8 m -49.8 -27.27 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.732 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -83.19 -31.09 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.479 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.7 OUTLIER -74.36 -42.18 59.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.455 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -62.55 -21.75 65.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.657 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.37 -14.01 29.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.585 HD23 ' CZ ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -75.66 -23.94 56.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.475 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 74.9 p -83.48 116.71 65.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.507 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.02 81.96 2.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.576 1.83 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.603 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.7 p -102.53 -133.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.5 OUTLIER 40.55 85.15 0.17 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.567 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.8 8.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.516 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.7 OUTLIER -137.13 -46.97 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.49 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -57.53 -10.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.633 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -81.74 -34.48 30.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.883 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -90.43 4.75 50.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.958 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -113.22 -12.45 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.49 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -101.57 -38.57 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.655 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.19 169.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.195 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -150.85 16.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.537 HG13 ' CB ' ' A' ' 90' ' ' ALA . 12.1 p -165.95 82.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.528 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -95.69 120.04 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.536 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.1 pt -145.45 126.01 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.676 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 6.4 mtp180 -77.84 42.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.618 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.3 t -63.84 175.02 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.374 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 14.7 ptmt -128.1 120.16 26.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.589 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.79 104.03 15.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.52 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 3.5 m -107.64 -36.6 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -112.15 162.89 14.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 110.067 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.88 -174.89 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.641 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.8 ttpt -153.07 115.04 4.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.485 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 6.4 tt0 -75.92 91.1 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.443 HG23 ' NE2' ' A' ' 44' ' ' GLN . 23.3 m -102.46 105.85 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.436 ' N ' ' HZ1' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -52.9 151.32 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.5 t -137.33 22.18 2.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 109.955 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.96 -179.35 31.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.8 m-20 -84.26 164.39 19.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.74 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.21 -161.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.235 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.516 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -80.99 0.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -108.27 -0.2 20.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.99 -7.92 78.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.475 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -79.2 153.96 77.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 129.25 12.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.43 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 50.7 mt -66.14 -81.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.649 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 11.1 tppt? 71.17 124.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.354 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.651 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.81 65.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.29 145.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.651 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 8.0 mm-40 -86.57 -178.73 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.667 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -137.93 67.59 1.42 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 9.8 tt0 -63.02 68.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.618 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.8 pt -65.24 -176.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.509 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.1 ttpt -122.24 -0.67 9.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.509 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.41 124.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.444 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -132.7 -32.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.396 1.06 . . . . 0.0 109.273 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.569 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -149.92 168.25 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.03 70.25 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CE2' ' CD2' ' A' ' 118' ' ' LEU . 1.0 OUTLIER -39.54 -76.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 110.99 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -130.03 66.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.4 -156.33 9.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.431 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 -174.4 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.54 1.811 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.43 -35.76 19.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -82.75 -79.09 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.9 t70 154.82 171.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.486 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.7 mm -96.71 -72.2 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.585 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER 74.53 -7.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.252 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.544 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.2 m-85 -147.85 98.97 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.545 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -108.5 169.46 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.359 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.631 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.2 m-85 -123.48 148.47 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.667 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.8 t -165.34 -167.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.491 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -98.08 154.59 37.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.649 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.05 -164.0 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 111.065 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.25 -169.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.603 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 24.2 p -54.11 -41.52 68.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.603 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 155.35 109.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.549 HG21 ' N ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -113.45 -42.11 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.549 ' N ' HG21 ' A' ' 71' ' ' VAL . 17.8 m -122.26 12.31 10.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.553 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.84 -156.22 7.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.482 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 89.0 t -114.74 -3.96 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 35.86 85.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.605 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.71 131.4 50.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 109.264 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.514 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -116.0 -2.86 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.579 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.3 t 72.69 -54.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.14 -13.02 0.9 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.551 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.3 -31.36 1.7 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.551 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -109.01 -96.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.257 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.579 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.7 -83.66 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.58 ' O ' ' O ' ' A' ' 106' ' ' PRO . 3.3 mp0 -147.22 152.01 37.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.808 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.2 p90 -134.62 154.48 51.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.696 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.72 3.16 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.808 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.88 102.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.833 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -127.59 110.56 12.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -143.56 177.44 22.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.565 1.166 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -47.48 -31.58 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.537 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . 78.6 174.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.515 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.3 tp10 -134.4 7.17 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.6 -120.48 3.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.45 146.19 52.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 73.22 0.61 53.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.84 143.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.545 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.96 -169.15 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.416 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -129.61 128.24 42.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.532 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.3 pt -140.04 142.34 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.513 ' OG1' ' HB2' ' A' ' 102' ' ' ASP . 0.7 OUTLIER -139.44 166.22 25.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.553 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.1 pt? -61.01 -50.3 73.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.48 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 6.1 t -61.8 -16.47 50.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.513 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.3 t0 -88.46 167.74 13.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.883 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.68 113.2 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 111.022 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 100' ' ' LEU . 7.4 pt -161.85 131.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -151.96 157.29 34.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.596 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.89 10.29 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.576 1.829 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.676 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 13.4 t90 71.94 -58.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.038 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.515 ' O ' ' CG2' ' A' ' 109' ' ' THR . 37.9 t70 -69.7 52.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.685 ' O ' ' C ' ' A' ' 110' ' ' LEU . 6.2 p -159.36 -55.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.685 ' C ' ' O ' ' A' ' 109' ' ' THR . 47.4 mt 8.2 -107.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 147.87 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.052 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.605 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 159.36 -67.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 110.475 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.516 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 5.2 m -47.66 -26.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.701 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -83.23 -32.65 26.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.518 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -72.71 -41.34 65.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.431 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -63.92 -18.55 64.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.3 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.612 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.14 -12.49 30.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.919 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.617 ' CD2' ' CE2' ' A' ' 53' ' ' PHE . 27.2 mt -75.46 -27.69 59.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.375 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -104.06 112.21 65.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.049 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 125.86 9.64 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.465 1.771 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.4 p -151.05 -131.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 37.86 84.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.576 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.87 8.33 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 113' ' ' THR . 0.4 OUTLIER -137.46 -43.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.9 mt-30 -65.25 -4.96 5.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.615 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.31 -37.07 23.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.857 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.9 m-85 -87.97 2.19 52.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -111.55 -14.83 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 108.338 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.53 -39.82 8.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.738 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -55.07 172.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -150.23 14.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 10.4 p -165.71 89.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.677 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -100.61 120.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.543 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -145.86 125.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.669 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.8 mtp180 -76.76 37.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.637 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.1 t -60.64 165.93 3.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.486 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 17.7 ptmt -120.8 120.32 35.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.584 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.34 103.53 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 3.5 m -107.31 -34.2 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.528 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -115.77 165.37 13.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -149.44 -174.01 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.338 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.687 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.9 ttpt -155.25 116.89 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' CB ' HD13 ' A' ' 43' ' ' ILE . 9.7 tt0 -77.56 92.37 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.5 m -103.89 119.31 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.87 158.55 15.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.485 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.3 t -145.3 19.25 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.957 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 74.7 177.72 39.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.491 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.1 m120 -84.73 163.07 19.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.246 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.3 t0 -94.29 -161.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.523 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -80.83 0.68 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -108.58 0.02 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.47 -8.51 74.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -78.54 153.35 78.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 129.85 12.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.539 1.81 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.485 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 42.9 mt -65.41 -78.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.665 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.3 tppt? 69.47 125.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.654 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -130.67 65.74 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.473 HD13 ' CB ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -35.28 150.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.687 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.7 mm-40 -92.49 178.96 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.61 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.06 69.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 13.5 tt0 -63.48 67.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.606 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -65.94 -173.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.615 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.7 ttmt -122.81 9.57 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.615 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.0 mm100 37.4 103.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.486 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -112.75 -32.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.543 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -145.23 163.6 33.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 52' ' ' MET . 2.1 ptp -144.17 69.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.578 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -36.34 -79.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.952 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -127.89 73.72 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.45 ' HA2' HG21 ' A' ' 17' ' ' VAL . . . -124.01 -162.77 11.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.415 ' HD3' HG21 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.02 -175.44 2.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.87 -33.06 14.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.636 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -72.12 -78.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.636 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.2 t70 146.13 165.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.527 HG23 ' CG ' ' A' ' 96' ' ' MET . 0.8 OUTLIER -109.67 -79.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.505 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER 76.9 -10.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 1.5 m-85 -141.37 94.04 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.093 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.551 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -99.94 168.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.64 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.2 m-85 -120.7 149.25 42.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.61 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.3 t -163.73 -164.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.399 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.516 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -102.81 152.61 38.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.665 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.4 Cg_endo -74.96 -160.05 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.43 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 61.78 -161.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.544 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 44.5 t -81.53 30.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 87.63 97.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.596 1.185 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.534 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -107.26 -36.0 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.539 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 8.4 m -124.62 8.8 8.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.567 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.55 -153.79 6.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.557 1.16 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.504 ' O ' ' C ' ' A' ' 75' ' ' SER . 81.9 t -113.49 -0.6 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.504 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 30.71 83.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.932 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.652 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.17 141.7 35.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -125.41 0.49 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 3.1 t 68.57 -56.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -49.36 -14.59 0.58 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.452 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -116.07 -24.23 3.96 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.08 -91.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.92 -59.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.4 OUTLIER -172.71 168.02 5.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.241 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.798 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.2 p90 -152.08 153.84 34.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.679 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.54 1.48 41.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.798 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.23 99.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.738 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -125.23 106.39 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 90' ' ' ALA . . . -139.67 165.7 25.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.608 1.193 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 2.3 tttm -39.2 -31.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 83.86 179.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.565 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -133.26 -41.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 174.29 -141.44 5.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.577 1.173 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -106.96 129.23 54.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 0.764 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 84.99 -2.36 88.35 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -170.26 139.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.616 0.833 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.565 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -136.75 -157.66 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -143.05 125.62 15.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.491 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.0 pt -139.35 145.49 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.216 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.549 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.7 OUTLIER -141.32 164.42 30.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.567 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -59.89 -41.68 92.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.52 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -66.77 -31.29 71.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 108.3 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.493 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.3 t0 -74.68 167.89 20.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.857 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.1 117.25 12.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.549 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.1 pt -164.4 134.36 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.574 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.47 158.16 32.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.6 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.03 10.41 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.669 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 15.9 t90 72.26 -60.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 107.986 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.498 ' O ' HG22 ' A' ' 109' ' ' THR . 16.1 t0 -69.28 53.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.674 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.4 p -159.05 -56.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.674 ' C ' ' O ' ' A' ' 109' ' ' THR . 55.3 mt 11.13 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.177 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 146.14 -40.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.38 -64.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.47 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 23.1 m -49.84 -27.07 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.739 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -83.42 -33.66 25.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.493 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.5 OUTLIER -72.67 -41.44 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.494 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -62.43 -20.28 64.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.643 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.37 -13.39 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.537 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 45.4 mt -71.05 -30.03 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 18.4 p30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -120.62 124.07 27.76 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.914 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -75.04 118.27 5.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.525 1.803 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.511 ' CG2' ' H ' ' A' ' 7' ' ' HIS . 8.2 p -139.49 -132.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.511 ' H ' ' CG2' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 35.89 88.45 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.431 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.02 -5.33 16.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -134.91 -42.61 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.348 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.434 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 5.1 mt-30 -63.49 -5.81 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.597 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.16 -38.07 22.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.863 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.8 m-85 -86.42 -2.67 58.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.64 -17.31 14.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.6 -37.94 10.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.728 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -57.23 174.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 88' ' ' GLY . 5.2 m-20 -157.1 16.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 6.3 p -165.69 80.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.363 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.579 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.2 118.75 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.527 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.21 123.69 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.625 ' NH1' ' CZ2' ' A' ' 107' ' ' TRP . 6.4 mtm180 -75.67 40.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.703 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.0 t -62.3 175.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.8 ptmt -129.54 120.04 24.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.601 1.188 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.578 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.28 98.6 11.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.403 1.064 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.49 ' CG1' HG12 ' A' ' 78' ' ' VAL . 3.0 m -99.24 -40.46 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.0 t -112.03 167.36 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.455 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.5 mp0 -148.38 -176.84 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.697 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -150.25 114.05 5.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.478 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 7.1 tt0 -75.56 93.2 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 m -103.67 124.78 58.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.14 158.56 30.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.437 ' HB2' ' NE ' ' A' ' 42' ' ' ARG . 3.0 t -146.2 19.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.427 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 75.48 178.65 43.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.48 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.4 m-20 -83.98 162.7 20.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.14 -161.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.539 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.4 mp -80.6 0.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.75 0.3 20.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.168 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.3 -8.18 75.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.48 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.9 p-10 -79.34 155.11 76.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.539 0.788 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 129.69 12.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.431 HG23 ' HB3' ' A' ' 31' ' ' SER . 54.6 mt -64.23 -79.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.632 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 13.3 tppt? 70.8 123.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.658 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -128.86 64.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -34.69 148.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.697 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.6 mm-40 -92.02 -178.99 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.882 ' HH ' ' N ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.93 69.12 1.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.6 tt0 -62.08 71.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.703 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.6 pt -67.15 -169.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -130.29 2.84 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.514 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 52.18 112.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.484 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -122.14 -27.88 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -155.68 166.74 32.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.8 ptm -146.12 71.85 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.621 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -41.72 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.37 66.19 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.6 -156.82 10.28 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -92.62 -35.5 13.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -80.89 -80.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 6.1 t0 155.64 170.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.375 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.472 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -101.02 -69.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.177 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.588 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.3 mt-10 71.81 -6.8 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.607 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -150.03 100.34 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.533 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -106.1 166.27 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.633 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 20.1 m-85 -118.01 149.84 40.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.579 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 5.0 t -165.5 -166.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.539 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.14 151.05 39.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.632 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -74.93 -158.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.476 1.777 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 54.18 -170.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.0 p -70.35 53.56 0.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HB3' ' N ' ' A' ' 75' ' ' SER . . . 58.58 101.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.242 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.433 HG21 ' N ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -107.31 -35.1 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 99' ' ' THR . 68.3 m -131.02 17.21 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.352 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.525 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -153.06 -155.61 7.21 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.436 1.085 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.516 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 64.8 t -113.87 0.02 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 74' ' ' VAL . 28.9 p 30.61 81.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.937 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.882 ' N ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -103.02 133.2 48.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.377 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.556 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -117.21 -10.42 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.562 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 2.0 t 73.34 -15.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.555 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -76.95 -5.64 84.86 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.529 1.143 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.497 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -133.33 -31.99 0.4 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.522 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -98.77 -100.87 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.781 . . . . 0.0 109.37 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 170.04 -75.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.579 ' O ' ' O ' ' A' ' 106' ' ' PRO . 16.4 mp0 -153.07 159.7 42.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.791 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.3 p90 -139.99 154.12 47.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.693 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.54 3.83 34.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.791 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.72 103.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.737 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -129.34 112.42 13.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 16' ' ' ASP . . . -145.43 -177.83 20.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -52.58 -28.49 21.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.545 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 77.33 174.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.525 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.3 tp10 -134.3 6.73 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.85 -119.73 3.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -131.77 144.49 50.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.6 -2.92 61.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.607 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.69 147.29 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.545 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -149.86 -169.5 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.5 131.55 52.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.528 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.512 ' CD1' HG13 ' A' ' 86' ' ' ILE . 12.6 pt -144.49 137.38 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.565 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.7 OUTLIER -138.45 161.22 37.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.431 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.525 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.6 OUTLIER -56.15 -45.41 79.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.439 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -63.28 -32.15 73.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.474 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.6 t0 -75.14 169.23 18.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.271 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.863 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -71.9 117.27 13.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.565 ' CD1' ' O ' ' A' ' 99' ' ' THR . 4.9 pt -165.18 133.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.468 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.02 157.73 31.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.579 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.2 Cg_endo -75.02 8.61 2.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.625 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 13.5 t90 73.61 -58.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 107.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.506 ' O ' ' CG2' ' A' ' 109' ' ' THR . 12.1 t0 -69.82 51.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.3 p -158.82 -56.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.682 ' C ' ' O ' ' A' ' 109' ' ' THR . 35.6 mt 9.18 -108.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.3 m 148.12 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.06 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.27 -66.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.488 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 3.5 m -48.91 -25.89 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.735 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -84.14 -33.02 24.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.46 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -73.35 -41.5 63.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.421 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -61.85 -19.36 62.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.721 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.31 -5.16 50.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.997 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.521 HD21 ' CD2' ' A' ' 53' ' ' PHE . 55.4 mt -81.38 -27.66 34.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.1 p30 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.467 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 79.1 p -88.9 130.7 43.81 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 110.019 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.444 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.7 Cg_endo -74.87 85.77 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.617 1.851 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.575 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.9 p -104.26 -133.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.52 86.64 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.591 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.04 -20.9 16.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.569 1.826 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.511 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.4 OUTLIER -120.42 -42.17 2.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.4 mt-30 -63.13 -5.32 3.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.587 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.74 -38.89 20.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.92 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -87.24 3.35 46.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.938 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.17 -15.56 13.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 108.249 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.56 -39.74 8.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.736 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.6 173.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -151.34 14.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 11.0 p -165.75 89.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.661 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -100.57 116.11 43.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.546 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -141.63 125.8 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.596 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -77.73 42.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.627 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.5 t -64.81 175.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.8 ptmt -128.93 120.62 26.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.26 108.25 19.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.502 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 2.4 m -111.95 -35.98 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -115.39 164.92 13.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.98 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.7 mp0 -149.8 179.6 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.0 ttpt -144.74 111.78 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.517 ' HG2' ' CE ' ' A' ' 41' ' ' LYS . 4.0 tt0 -74.04 92.35 2.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.491 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 30.0 m -108.78 112.3 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.518 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.1 m-20 -56.59 160.77 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.5 t -143.74 17.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.973 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.406 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 77.98 176.68 46.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.2 m120 -84.26 162.41 20.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.744 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -93.92 -161.64 0.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.515 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.9 mp -80.56 0.4 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -107.91 -1.22 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.7 -8.39 77.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.481 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -78.19 151.71 78.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.556 0.797 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 129.06 12.01 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 31' ' ' SER . 73.0 mt -65.57 -80.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.537 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 17.6 tppt? 68.87 126.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.658 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.49 68.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.51 141.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.658 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 6.7 mm-40 -83.23 179.77 7.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.354 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.566 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.28 69.63 1.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.0 tt0 -63.62 68.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.627 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.0 pt -65.26 -173.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.546 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.2 ttpt -125.22 1.52 7.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.546 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 54.94 125.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.513 HD13 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -134.32 -34.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.7 tttt -146.67 162.44 38.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 ptm -144.26 65.13 1.3 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.599 ' CD1' HD21 ' A' ' 118' ' ' LEU . 43.6 m-85 -41.82 -80.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -121.16 69.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.418 ' HA2' HG21 ' A' ' 17' ' ' VAL . . . -128.8 -160.24 10.24 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD3' HG21 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.95 -174.28 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.408 1.741 . . . . 0.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.77 -33.49 14.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -78.44 -80.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.2 t70 151.94 169.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.483 HG23 ' CG ' ' A' ' 96' ' ' MET . 1.3 mm -102.38 -71.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.554 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.3 -8.24 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.61 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -149.36 97.49 2.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.575 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -103.56 170.11 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.708 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -120.87 146.48 46.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 111.032 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.566 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 9.2 t -161.71 -160.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.351 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.493 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -109.04 153.38 42.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.221 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.537 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.01 -158.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 59.71 -161.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.995 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 26.1 t -81.13 30.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.949 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 88.38 94.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.551 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -107.16 -28.13 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.551 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 4.5 m -133.99 12.03 3.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.597 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.63 -153.11 6.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 75' ' ' SER . 78.0 t -114.94 0.33 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 0.776 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 74' ' ' VAL . 32.7 p 33.36 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.595 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.45 135.68 45.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.499 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -124.83 0.46 8.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.564 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.5 t 71.83 -54.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.44 -10.58 2.11 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.438 ' C ' ' HD3' ' A' ' 81' ' ' LYS . . . -119.75 -25.83 2.49 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -117.23 -94.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.564 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.88 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.8 mp0 -146.78 160.6 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.798 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.1 p90 -146.69 153.43 40.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.692 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.64 2.72 32.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.798 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.94 100.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.736 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -125.76 108.29 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.36 172.27 23.92 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -45.1 -28.73 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 0.813 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.445 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . 79.29 178.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.58 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.6 tp10 -132.51 -37.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.96 -135.69 3.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.421 ' N ' ' HE2' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -111.43 134.26 53.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.13 -5.89 69.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.61 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -168.84 144.11 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.746 . . . . 0.0 109.283 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.58 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -141.21 -158.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.708 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -138.99 124.84 19.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.546 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.501 ' CD1' HG13 ' A' ' 86' ' ' ILE . 1.9 pt -138.82 151.36 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.532 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.2 OUTLIER -148.71 164.3 34.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 110.417 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.597 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -59.65 -50.73 72.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.453 ' O ' ' NE2' ' A' ' 7' ' ' HIS . 5.7 t -61.15 -19.25 61.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 108.263 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.42 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 10.0 t0 -86.79 167.86 14.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.92 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -70.77 115.79 10.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.4 pt -165.09 132.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.501 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.72 156.56 32.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.559 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.13 5.36 4.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.563 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 3.1 t90 78.06 -57.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 107.976 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.545 ' O ' ' CG2' ' A' ' 109' ' ' THR . 25.9 t0 -69.9 50.65 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 18.1 p -159.08 -57.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.679 ' C ' ' O ' ' A' ' 109' ' ' THR . 45.0 mt 11.84 -107.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.83 -41.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.589 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.63 -65.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 35.2 m -49.78 -26.41 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.713 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -83.43 -33.08 25.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.47 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -73.25 -41.1 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.372 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.437 ' O ' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.83 -20.28 65.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.641 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.89 -12.83 26.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.599 HD21 ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -75.1 -28.41 60.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.389 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 116' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.0 p -123.52 113.06 29.18 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 130.73 13.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.524 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 8.4 p -154.7 -133.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.524 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 35.05 88.59 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.645 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 2.34 6.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.787 . . . . 0.0 110.996 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.471 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 9.9 tp-100 -137.8 -42.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.515 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.61 -7.14 9.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.605 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.2 -32.54 26.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.87 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.4 m-85 -92.0 -3.1 56.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -105.01 -9.77 17.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 108.282 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -103.75 -41.33 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.75 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.51 173.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER -154.22 16.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.516 HG13 ' CB ' ' A' ' 90' ' ' ALA . 13.7 p -165.6 82.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.592 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -96.01 119.07 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.537 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.56 123.78 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.639 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.3 mtp180 -75.07 39.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.662 HG22 ' CE1' ' A' ' 84' ' ' TYR . 1.8 t -60.59 173.51 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 16.2 ptmt -129.18 118.8 22.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -90.43 103.43 16.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.452 HG13 ' CG1' ' A' ' 78' ' ' VAL . 1.2 m -104.72 -35.58 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.174 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.472 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.9 t -117.24 169.43 9.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.044 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.2 mp0 -150.65 -177.43 5.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.635 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.9 ttpt -148.79 110.59 4.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' CG ' ' HE3' ' A' ' 41' ' ' LYS . 8.1 tt0 -74.19 90.06 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.44 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 34.3 m -103.23 125.29 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.38 160.06 28.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.495 ' OG ' HG23 ' A' ' 40' ' ' ILE . 9.4 t -146.22 19.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.59 177.07 46.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.503 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 6.1 m-20 -83.6 163.35 20.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t70 -94.48 -161.6 0.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.521 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -80.82 1.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.54 -1.09 19.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.62 -8.21 78.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.503 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.1 p-10 -79.31 154.86 76.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 131.16 13.87 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.456 1.766 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.495 HG23 ' OG ' ' A' ' 31' ' ' SER . 96.5 mt -64.74 -81.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.23 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.641 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.7 tppt? 72.96 124.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.674 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -129.84 66.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -37.61 143.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.674 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.9 mm-40 -86.64 -178.66 6.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.658 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.4 OUTLIER -137.03 66.02 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.54 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.8 tt0 -61.29 74.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.659 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.3 pt -69.12 -168.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.579 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -129.98 7.1 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.579 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 49.07 114.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.464 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -122.76 -27.54 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.549 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -156.36 169.13 25.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.474 ' CE ' ' O ' ' A' ' 56' ' ' PRO . 0.4 OUTLIER -146.7 68.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 118' ' ' LEU . 0.6 OUTLIER -40.19 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.568 1.167 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -129.79 65.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 109.32 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.11 -157.89 10.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.474 ' O ' ' CE ' ' A' ' 52' ' ' MET . 18.2 Cg_endo -75.1 -172.89 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.79 -34.92 15.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.43 -79.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.3 t70 153.5 170.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.482 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -101.83 -72.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.3 mt-10 73.73 -8.0 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.595 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -149.23 99.58 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.944 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.523 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -103.24 170.13 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.758 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -121.8 151.88 40.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.658 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.0 t -167.59 -159.35 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.536 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -110.42 152.66 43.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.641 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo -75.01 -160.33 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.33 -170.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t -71.1 55.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 75' ' ' SER . . . 58.54 102.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.536 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -111.59 -32.23 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.387 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.536 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 8.7 m -128.38 7.75 5.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.564 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -147.21 -151.75 5.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.531 ' O ' ' C ' ' A' ' 75' ' ' SER . 94.1 t -117.59 6.6 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.531 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER 28.05 86.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.931 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.667 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -106.56 132.8 52.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.461 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -120.87 2.9 10.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 2.7 t 68.33 -57.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -56.25 -10.45 3.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.427 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -118.66 -18.33 4.85 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -121.77 -88.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 0.8 . . . . 0.0 109.345 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 160.76 -68.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.542 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -165.75 162.12 18.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.358 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.813 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 3.1 p90 -146.7 151.91 37.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.689 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.39 3.89 29.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.813 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.96 103.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.75 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -128.44 111.68 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' ASP . . . -144.98 -175.53 18.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.7 mtpt -53.29 -36.41 61.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 0.789 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.527 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 84.47 173.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.525 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.4 tp10 -132.21 4.18 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.74 -120.53 3.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.7 140.83 49.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.422 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 81.16 -3.8 74.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.93 143.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.527 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -145.13 -168.7 3.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.758 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -128.83 128.29 43.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.583 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 64' ' ' TYR . 4.9 pt -140.47 145.18 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.544 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -141.74 163.7 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.422 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.564 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.6 OUTLIER -58.51 -46.15 87.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.206 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.449 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -62.68 -31.86 72.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 108.324 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.439 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.5 t0 -73.95 167.85 20.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.87 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -71.03 118.08 13.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.544 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.5 pt -165.38 134.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.74 158.47 32.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.602 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.0 10.81 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.639 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 18.3 t90 71.07 -59.87 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 107.961 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.473 ' O ' HG22 ' A' ' 109' ' ' THR . 33.4 t70 -69.72 52.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.681 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.7 p -157.73 -55.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.681 ' C ' ' O ' ' A' ' 109' ' ' THR . 50.7 mt 9.73 -107.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.97 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.397 1.061 . . . . 0.0 110.015 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.53 -62.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.502 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 27.4 m -49.65 -24.03 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.717 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -87.95 -37.19 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.489 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 2.0 mtmt -68.12 -37.54 81.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.502 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -63.55 -19.89 65.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.662 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -90.04 -22.84 21.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 72.5 mt -61.54 -22.7 65.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.9 p -103.43 107.72 56.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -75.01 123.96 8.26 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.563 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.6 p -149.56 -132.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.51 85.06 0.17 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.623 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.439 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.4 Cg_endo -74.97 1.11 8.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 113' ' ' THR . 0.3 OUTLIER -138.35 -43.1 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.3 mt-30 -64.93 -5.27 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.64 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.79 -37.75 24.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.853 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.9 m-85 -87.4 1.81 52.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.1 m -111.2 -15.22 13.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 108.335 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.1 -39.06 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.725 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -56.25 170.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -148.39 14.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 11.1 p -165.74 89.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.647 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -101.39 118.09 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.543 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -143.72 125.25 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.675 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 3.7 mtp180 -77.27 39.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.606 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.2 t -61.82 170.68 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 16.2 ptmt -124.41 121.69 35.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.66 104.25 16.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.478 HG11 ' CG1' ' A' ' 78' ' ' VAL . 2.5 m -107.16 -36.48 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.518 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -114.41 166.85 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.078 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.8 mp0 -149.97 -179.78 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -148.36 113.98 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.438 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 7.3 tt0 -75.17 90.78 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 10.0 m -97.2 94.57 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.489 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -45.11 146.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.512 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.3 t -133.22 15.5 4.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.19 -174.43 37.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.468 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.2 m120 -84.27 165.44 18.32 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -95.46 -161.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.516 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -81.56 1.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.598 1.186 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.78 -0.63 19.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.87 -8.77 76.79 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' ASP . 8.6 p-10 -78.41 153.88 79.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.5 Cg_endo -74.92 129.65 12.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.512 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 52.8 mt -70.91 -84.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.547 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.03 124.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.605 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -129.74 68.05 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -41.46 145.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.644 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.2 mm-40 -88.37 -177.15 5.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.881 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -137.43 68.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.554 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 13.6 tt0 -62.73 68.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.613 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.2 pt -66.44 -176.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.8 ttpt -118.51 -4.59 10.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.51 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.8 mm100 54.99 114.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.473 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -122.18 -35.36 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.541 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -145.49 160.82 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.45 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -140.21 68.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -35.94 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -126.93 70.08 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.17 -163.09 12.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.45 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.1 Cg_endo -75.08 -170.59 0.81 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.29 -33.23 12.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.655 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.4 -81.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.655 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 151.11 164.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.501 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.8 OUTLIER -106.87 -78.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.544 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.01 -7.04 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -146.11 96.28 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.525 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -100.67 172.49 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.658 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.17 153.43 41.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.657 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 5.5 t -170.81 -164.55 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.526 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.64 153.56 39.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.547 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.1 Cg_endo -75.01 -160.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.35 -160.18 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.975 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 66.1 p -81.63 32.89 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 82.29 101.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.508 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -109.84 -40.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 99' ' ' THR . 16.7 m -121.46 13.34 10.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.542 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.33 -152.65 6.01 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.073 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.54 ' O ' ' C ' ' A' ' 75' ' ' SER . 47.9 t -115.62 3.84 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.54 ' C ' ' O ' ' A' ' 74' ' ' VAL . 8.3 p 27.74 82.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.936 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.881 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -103.48 141.33 36.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.491 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -125.99 0.53 7.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 2.8 t 69.62 -56.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -55.1 -11.83 3.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.449 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -117.69 -16.28 6.0 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.44 -89.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 160.99 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.502 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -169.23 168.43 9.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.784 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.2 p90 -152.14 152.66 32.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.68 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.25 2.71 34.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.784 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.91 100.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.725 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -129.91 101.92 6.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -156.93 162.81 31.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -36.31 96.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.495 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . -60.58 176.26 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.526 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.7 tp10 -124.85 4.35 8.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.17 -115.61 1.68 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.83 139.68 40.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 82.03 -2.16 84.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.564 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -176.39 142.84 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.526 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -145.5 -169.58 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.447 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -126.48 133.49 51.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.575 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.537 ' CD1' HG13 ' A' ' 86' ' ' ILE . 12.9 pt -144.45 142.08 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.554 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -140.33 161.0 38.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.542 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.8 OUTLIER -57.08 -43.69 82.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.252 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.419 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -63.22 -33.6 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 108.344 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.431 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.5 t0 -73.81 167.57 21.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.853 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.64 119.09 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.554 ' CD1' ' O ' ' A' ' 99' ' ' THR . 4.2 pt -165.8 135.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.532 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -154.84 158.8 32.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.615 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.02 10.12 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.675 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.6 t90 71.91 -59.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.5 ' O ' HG22 ' A' ' 109' ' ' THR . 42.8 t0 -70.35 52.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.651 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.0 p -158.43 -59.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.651 ' C ' ' O ' ' A' ' 109' ' ' THR . 54.1 mt 15.18 -107.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.24 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.95 -65.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.455 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 24.1 m -49.48 -27.48 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.735 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -82.57 -32.86 28.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.502 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -73.16 -42.6 62.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.29 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.478 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -60.89 -20.84 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.66 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.63 -15.15 33.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.491 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 63.4 mt -71.76 -20.15 61.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 119' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.453 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 9.6 p -88.49 113.85 57.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 103.25 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.629 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.2 p -126.34 -131.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 41.31 82.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.568 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.73 6.32 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.448 ' NE2' HG21 ' A' ' 113' ' ' THR . 0.5 OUTLIER -139.09 -44.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 8.9 mt-30 -63.65 -6.24 5.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.6 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.15 -38.11 22.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.932 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -86.63 1.05 53.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.42 -13.96 14.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.275 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -98.0 -37.85 9.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.688 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -55.72 171.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.03 15.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.516 HG13 ' CB ' ' A' ' 90' ' ' ALA . 14.6 p -166.42 84.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.539 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.75 120.94 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.522 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -145.19 124.89 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.696 ' CZ ' ' CZ2' ' A' ' 107' ' ' TRP . 16.9 mtp180 -77.29 40.51 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.604 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.3 t -62.97 175.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.467 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' N ' ' OG1' ' A' ' 21' ' ' THR . 14.7 ptmt -129.02 120.66 26.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.572 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.5 103.15 15.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.509 HG11 ' CG1' ' A' ' 78' ' ' VAL . 1.9 m -105.08 -37.04 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.514 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -113.37 166.0 11.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 2.6 mp0 -150.85 -175.18 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.206 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.631 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.09 112.31 4.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.226 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.516 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.2 tt0 -75.97 90.08 2.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 16.8 m -97.5 79.67 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' OD1' ' OE1' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -44.61 142.39 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.515 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.7 t -127.94 30.19 5.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.51 -169.14 6.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.9 m120 -83.9 164.39 19.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.6 t70 -94.78 -161.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.516 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.99 1.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -109.0 -1.23 19.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.08 -8.72 77.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.49 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.8 p-10 -78.39 153.37 79.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.566 0.804 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.04 128.96 11.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.432 HG22 ' OG ' ' A' ' 31' ' ' SER . 23.4 mt -73.8 -95.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.486 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 25.6 ttmt 72.54 124.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.628 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.5 ptt85 -127.79 72.94 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -45.0 143.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.631 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.6 mm-40 -86.55 -178.81 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.651 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.5 OUTLIER -137.77 67.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.514 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.8 tt0 -63.12 70.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.657 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.5 pt -67.87 -177.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.0 ttpt -120.44 -3.35 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.524 ' HG3' ' OD1' ' A' ' 59' ' ' ASP . 15.1 mm100 58.2 123.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.439 HG12 ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -130.79 -37.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -149.85 154.58 38.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.481 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -132.66 72.84 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.605 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -37.81 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HB3' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -135.81 76.3 1.6 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.32 -162.65 11.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.578 1.174 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.495 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.5 Cg_endo -74.96 -175.77 2.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -90.04 -32.57 16.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.592 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.07 -79.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.649 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 4.2 t0 148.12 168.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.649 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -108.56 -76.98 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.538 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 2.1 mt-10 72.87 -9.12 1.15 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.506 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.2 m-85 -141.93 95.42 2.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.537 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -102.77 166.59 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.623 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.2 m-85 -120.36 157.66 28.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.189 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.651 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 7.6 t -172.88 -161.97 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.503 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -111.02 152.32 43.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.531 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.06 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.43 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 68.09 -159.11 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.532 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 46.2 t -81.78 28.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.952 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 85.7 96.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.628 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -104.32 -49.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.628 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 3.8 m -109.76 9.36 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.552 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.33 -152.88 5.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.511 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 70.6 t -117.55 2.26 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 31.54 86.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.701 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -104.67 136.82 43.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.505 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -120.71 -5.39 9.7 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 2.9 t 69.64 -55.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -48.07 -13.93 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -117.87 -27.72 2.44 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -107.17 -94.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.532 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 165.7 -63.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.532 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -167.11 168.04 13.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.253 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.823 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.0 p90 -150.15 154.03 37.34 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.691 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.61 2.27 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.823 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.65 100.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.796 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -126.49 111.34 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.449 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -144.46 174.55 24.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.415 1.072 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.84 -34.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 0.0 109.383 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.526 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 82.19 173.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.7 OUTLIER -131.65 3.13 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.245 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.15 -120.47 3.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.96 143.22 50.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.499 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.77 -3.18 65.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -176.33 141.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.537 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.44 -168.46 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.431 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -128.92 128.25 43.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.53 ' CD1' HG13 ' A' ' 86' ' ' ILE . 3.1 pt -140.89 139.14 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -136.45 167.02 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.577 1.173 . . . . 0.0 110.349 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.552 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.5 OUTLIER -62.38 -48.91 77.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.438 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 6.5 t -63.44 -13.78 43.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 108.309 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.417 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.3 t0 -92.13 166.71 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.932 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -69.52 115.59 8.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.52 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.6 pt -165.28 129.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.534 ' O ' ' CB ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -149.53 159.19 36.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.05 10.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.696 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 14.1 t90 71.3 -61.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.488 ' O ' HG22 ' A' ' 109' ' ' THR . 57.2 t0 -69.83 52.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.661 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.1 p -158.85 -59.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.661 ' C ' ' O ' ' A' ' 109' ' ' THR . 49.3 mt 14.55 -106.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.05 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.0 -67.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.448 HG21 ' NE2' ' A' ' 9' ' ' GLN . 21.8 m -47.54 -25.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.71 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -84.43 -34.04 23.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.482 ' HG3' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -71.83 -42.42 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.492 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -62.02 -20.99 64.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.618 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -88.47 -15.25 35.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.931 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.588 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 54.3 mt -72.62 -28.34 62.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 0.0 109.338 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -97.89 110.1 54.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.944 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.02 3.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.601 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.8 p -140.11 -131.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.43 95.0 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.24 15.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.793 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.571 ' OE1' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -124.76 -42.6 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 6.1 mt-30 -55.09 -10.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.603 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -84.46 -36.89 21.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.902 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -88.74 0.65 56.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 m -109.42 -15.13 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.25 -37.13 10.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.724 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -55.03 174.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -156.37 17.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 14.1 p -166.0 78.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.572 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -93.73 118.11 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.543 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -144.73 124.63 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.662 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 10.9 ttp180 -76.71 41.13 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.605 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.1 t -60.81 171.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 14.5 ptmt -124.37 118.65 27.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.82 106.23 18.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.514 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 3.2 m -110.39 -37.09 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.506 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -112.48 163.47 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.986 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -148.36 -176.45 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.02 115.18 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HA ' HD13 ' A' ' 43' ' ' ILE . 6.9 tt0 -75.09 92.57 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 6.7 m -99.51 93.83 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.478 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.5 m-20 -45.25 143.92 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.378 1.049 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.517 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.3 t -130.9 17.46 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.059 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.08 -174.08 30.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.437 1.086 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.48 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.7 m120 -84.72 165.89 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.0 t0 -95.5 -161.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.524 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -81.17 1.18 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -108.94 -1.56 18.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.6 -8.97 77.72 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.48 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -77.64 153.62 81.08 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.571 0.806 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.517 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 46.4 mt -71.91 -84.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.565 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.99 124.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.61 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.18 69.74 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -43.09 145.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.643 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.8 mm-40 -87.21 -179.6 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.652 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.76 68.79 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.047 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.506 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.8 tt0 -63.35 68.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.181 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.598 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.5 pt -65.72 -175.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.519 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -123.53 0.16 8.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.519 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.54 128.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -134.59 -36.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' N ' HG12 ' A' ' 50' ' ' ILE . 3.0 tttt -144.36 167.32 22.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.361 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.92 65.05 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CE2' ' CD2' ' A' ' 118' ' ' LEU . 18.9 m-85 -40.13 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -127.18 71.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.02 -158.72 9.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.444 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.01 -173.49 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -88.81 -34.69 16.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.227 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -81.94 -78.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.4 t70 152.39 171.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.49 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.4 mm -97.92 -73.12 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.58 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.86 -8.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.362 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.578 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -146.42 96.89 2.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.527 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -106.53 169.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.62 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.8 m-85 -122.35 155.48 35.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.652 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 7.7 t -172.68 -165.51 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.49 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -102.61 155.68 36.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.565 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo -75.04 -165.54 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.52 -172.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.678 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -54.09 -33.84 58.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.678 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 149.06 109.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.567 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -115.91 -36.31 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.567 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 8.3 m -128.76 17.66 6.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.499 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -159.83 -153.48 6.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.486 HG21 ' CD1' ' A' ' 104' ' ' ILE . 64.8 t -117.19 -0.82 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.553 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 33.84 85.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.009 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.625 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -106.41 134.19 49.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.497 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -122.93 1.24 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.562 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.6 t 71.33 -58.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.68 -9.79 1.89 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.488 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.95 -20.99 3.95 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.488 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -124.05 -92.47 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 0.723 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.562 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.71 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.332 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.588 ' O ' ' O ' ' A' ' 106' ' ' PRO . 10.9 mp0 -148.21 149.46 31.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.809 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.9 p90 -130.88 153.08 49.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.671 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.97 3.53 33.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.809 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.19 104.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.724 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -130.01 110.22 11.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 89' ' ' LYS . . . -147.52 170.2 28.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 2.0 tttm -39.6 -35.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.517 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . 83.46 177.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.602 1.189 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.528 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.1 tp10 -134.96 7.31 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.44 -123.68 4.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.35 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 75.64 -0.47 60.95 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.107 . . . . 0.0 111.045 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.578 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.18 142.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.289 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.528 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -146.75 -170.0 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.982 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.69 130.13 48.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.522 ' CD1' HG13 ' A' ' 86' ' ' ILE . 6.3 pt -141.53 139.18 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.553 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 2.0 p -138.33 163.82 30.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.439 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.528 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -62.5 -29.16 70.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -29.83 57.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 108.284 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.406 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.6 t0 -81.18 170.24 16.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.902 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.82 117.5 12.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.051 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.553 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.3 pt -164.42 132.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.422 HG22 HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.51 157.36 32.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.588 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.4 Cg_endo -74.99 7.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.419 1.747 . . . . 0.0 111.049 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.662 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 2.5 t90 73.99 -57.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.03 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.52 ' O ' ' CG2' ' A' ' 109' ' ' THR . 65.9 t0 -69.34 50.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.683 ' O ' ' C ' ' A' ' 110' ' ' LEU . 13.3 p -158.67 -55.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.683 ' C ' ' O ' ' A' ' 109' ' ' THR . 40.7 mt 8.49 -106.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 147.43 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.599 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.74 -63.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.486 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 20.6 m -51.03 -25.81 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.445 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.702 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -84.17 -33.02 24.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -72.72 -42.45 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.571 ' CE ' ' OE1' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -64.09 -12.51 39.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.601 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.3 -19.81 17.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.608 ' CD2' ' CE2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -71.05 -26.68 63.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 1.183 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 116' ' ' LYS . 10.1 p30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.491 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 69.3 p -85.62 115.88 63.32 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.443 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.95 84.21 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.656 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.6 p -103.97 -132.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.656 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 42.0 93.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.595 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.0 Cg_endo -75.06 -27.86 9.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.591 ' NE2' ' HG ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -120.11 -40.57 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.432 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 8.8 mt-30 -57.28 -8.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.615 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.75 -39.48 20.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.895 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -85.91 1.53 49.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.3 m -110.2 -15.08 14.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 108.241 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.95 -38.66 10.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.668 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.76 172.24 0.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -148.48 11.27 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.522 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 4.9 p -166.91 92.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.594 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -100.88 122.86 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.544 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.6 OUTLIER -145.24 126.28 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.697 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.5 mtp180 -77.27 37.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.231 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.641 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.4 t -60.87 163.67 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 14.8 ptmt -119.23 119.92 35.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.537 ' HA ' HG21 ' A' ' 47' ' ' ILE . . . -92.17 101.36 13.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.454 ' CG1' HG12 ' A' ' 78' ' ' VAL . 2.9 m -103.71 -35.69 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.503 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.7 161.73 18.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.1 -177.4 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.639 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -151.29 112.45 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.506 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.2 tt0 -74.55 92.73 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 m -99.17 80.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.78 139.4 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.524 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.7 t -125.43 32.6 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.67 -169.57 4.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.486 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.3 m120 -83.66 165.24 19.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.4 t70 -94.86 -162.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.508 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -80.46 0.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -108.49 -1.31 19.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.46 -9.54 75.2 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.106 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.486 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.4 p-10 -77.45 153.85 81.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.0 130.04 12.91 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 41' ' ' LYS . 41.8 mt -75.22 -94.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 20.1 ttmt 72.13 121.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.652 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.6 ptt85 -126.14 69.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -39.3 146.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.652 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 10.6 mm-40 -89.68 179.36 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.961 ' HH ' ' N ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.71 70.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.503 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.6 tt0 -64.66 66.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.59 1.181 . . . . 0.0 110.256 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.639 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.7 pt -65.37 -176.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -119.24 0.9 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.502 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.3 mm100 49.37 107.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.473 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -115.57 -33.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.53 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -144.41 164.54 30.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.1 ttp -144.8 70.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.585 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -40.67 -77.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.542 ' O ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.23 165.89 21.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.522 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 128.8 -137.26 9.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.452 ' HD3' ' CG2' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.03 -163.11 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.79 -30.13 4.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.0 -81.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.556 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.6 t70 154.92 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.202 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.548 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 1.2 mm -102.83 -79.88 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 76.66 -8.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.586 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -143.45 94.09 2.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.559 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -104.33 171.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.388 1.055 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.611 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.0 m-85 -119.67 163.76 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.566 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 5.0 t -176.64 -174.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.473 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -102.04 148.3 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.557 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.99 -161.3 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.407 1.741 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.7 OUTLIER 58.42 -170.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.6 p -70.14 54.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.052 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 56.02 96.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.486 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -103.22 -34.42 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.175 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.514 ' O ' ' HA ' ' A' ' 99' ' ' THR . 19.6 m -131.7 10.98 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.544 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.54 -156.01 7.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.547 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 15.0 t -115.15 1.09 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 74' ' ' VAL . 79.2 p 30.03 84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.961 ' N ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -102.87 129.77 49.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.464 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.6 p30 -116.25 -3.46 11.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 0.9 OUTLIER 72.04 -52.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.13 -15.33 0.38 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.502 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.6 -32.63 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.538 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -102.86 -95.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.509 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 163.81 -66.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.526 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -161.66 166.61 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.804 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.5 p90 -150.69 153.75 36.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.669 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.34 0.21 46.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.804 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 13.36 100.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.78 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -127.96 109.77 11.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.401 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -141.94 177.02 21.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 3.3 tttm -51.03 -28.63 10.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 83.68 -178.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.54 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.8 tp10 -136.92 -37.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.44 -150.33 11.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.7 130.08 45.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 0.75 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 83.8 -4.37 82.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -166.77 141.65 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.559 ' HE3' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -140.49 -158.6 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.94 130.28 27.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.69 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.509 ' CD1' HG13 ' A' ' 86' ' ' ILE . 10.2 pt -141.61 142.1 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.217 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.557 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.7 OUTLIER -140.37 159.49 42.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.544 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.0 OUTLIER -55.19 -46.64 75.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 2.4 t -61.69 -32.29 72.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 108.265 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.492 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 10.2 t0 -74.87 167.73 21.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.895 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -70.82 117.2 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.937 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.557 ' CD1' ' O ' ' A' ' 99' ' ' THR . 4.2 pt -165.53 132.35 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.548 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -152.0 159.35 33.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.604 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.0 Cg_endo -75.04 10.41 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.697 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 18.0 t90 71.38 -59.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.047 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.507 ' O ' ' CG2' ' A' ' 109' ' ' THR . 16.1 t70 -69.33 52.49 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.675 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.0 p -159.29 -56.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.675 ' C ' ' O ' ' A' ' 109' ' ' THR . 52.1 mt 11.25 -108.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.45 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.583 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.93 -65.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.356 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.438 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 25.2 m -49.83 -26.59 4.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.452 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.726 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -83.04 -31.15 27.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.485 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.4 OUTLIER -75.5 -43.44 49.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.57 ' CE ' ' OE1' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -62.59 -13.44 31.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.619 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -96.74 -15.1 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 110.026 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.488 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 76.0 mt -69.63 -31.11 69.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 43.6 t . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -62.23 109.39 2.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.4 Cg_endo -74.97 76.76 3.29 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.467 1.772 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.593 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.1 p -98.79 -133.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.7 OUTLIER 43.54 93.96 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.129 . . . . 0.0 109.594 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.0 -32.97 4.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -114.75 -36.33 4.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.353 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.491 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -58.16 -11.7 2.85 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.664 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.05 -34.94 29.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.895 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -89.44 -3.55 58.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.3 m -104.95 -9.67 17.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.371 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.491 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.4 OUTLIER -103.47 -39.27 6.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.784 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.03 169.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.237 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -148.83 15.31 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 13.2 p -166.57 88.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.623 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -99.58 117.12 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.519 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -142.27 124.74 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.634 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 8.2 mtp180 -78.1 39.67 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.609 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.2 t -60.09 179.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.486 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 13.7 ptmt -133.04 118.63 19.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.575 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -92.59 104.21 16.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.488 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 3.5 m -107.92 -35.85 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.37 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.513 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -113.71 161.64 17.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 110.06 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.5 mp0 -147.44 -177.23 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.3 ttpt -149.85 114.68 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.433 ' HA ' HD13 ' A' ' 43' ' ' ILE . 7.5 tt0 -75.3 92.27 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.4 HG23 ' NE2' ' A' ' 44' ' ' GLN . 22.3 m -103.99 119.64 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.7 159.12 14.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.521 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.3 t -146.69 18.2 1.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.162 . . . . 0.0 109.952 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 74.26 179.79 41.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.469 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.0 m-20 -84.14 164.41 19.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -96.16 -161.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.523 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -80.88 1.84 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -110.07 -0.34 18.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.582 1.176 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.31 -9.83 71.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.147 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.5 p-10 -77.72 154.6 81.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 129.76 12.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.521 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 55.0 mt -65.2 -79.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.658 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.1 tppt? 69.56 125.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.638 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -130.63 68.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.319 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.442 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -40.07 146.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.638 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 9.0 mm-40 -88.08 179.79 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.943 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.84 67.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.513 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.6 tt0 -63.35 70.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.616 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.3 pt -66.34 -173.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.557 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -127.17 2.54 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 54.49 125.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.439 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -132.72 -30.23 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.472 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -155.03 167.25 30.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.2 ptp -144.83 69.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.634 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -38.28 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HB3' HG21 ' A' ' 18' ' ' VAL . 13.7 tptp -133.24 72.26 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.1 -152.44 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.484 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.6 Cg_endo -74.96 -168.46 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.077 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -97.36 -33.81 11.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.24 -79.77 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.51 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.2 t70 155.65 170.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 56' ' ' PRO . 1.8 mm -100.13 -74.23 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.582 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 72.81 -8.15 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -145.98 95.6 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.512 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -107.09 167.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.381 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.604 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.3 m-85 -121.33 152.26 39.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.632 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.5 t -167.38 -165.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.473 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.509 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -102.34 154.52 37.37 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.658 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo -74.95 -161.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.88 -168.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.635 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 3.6 p -54.09 -40.18 67.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.635 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 152.29 102.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.521 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -106.5 -44.49 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.167 . . . . 0.0 109.326 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.521 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 20.5 m -121.58 27.01 8.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 108.254 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.529 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -168.03 -153.62 8.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.468 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 96.1 t -121.08 -1.3 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.611 ' CA ' ' HH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 34.68 82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.946 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.943 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -104.12 132.39 50.42 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.507 ' C ' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -118.22 1.27 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 3.4 t 68.88 -57.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -51.23 -13.56 1.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.435 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -116.13 -25.36 3.57 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -112.63 -90.04 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.5 -63.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -169.62 165.98 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.355 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.786 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.1 p90 -149.7 152.99 36.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.995 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.693 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.78 4.16 30.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.786 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 9.92 101.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.784 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -126.96 109.47 11.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.418 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -145.0 171.16 26.25 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -39.75 -36.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.523 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 83.78 175.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.519 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.2 tp10 -134.83 6.98 3.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.87 -122.85 4.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.04 142.56 50.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 79.24 -2.28 71.67 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.57 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.69 142.8 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 0.721 . . . . 0.0 109.345 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.523 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -146.54 -168.79 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.435 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -128.08 129.29 46.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.612 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.528 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.7 pt -141.52 141.67 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.7 OUTLIER -142.1 164.7 29.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.529 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -58.49 -44.57 89.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.374 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 2.6 t -63.52 -32.35 73.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.43 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.3 t0 -75.83 168.27 20.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.895 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.9 115.52 11.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.9 pt -162.86 132.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.529 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -151.67 158.48 34.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.616 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 11.98 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.631 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.2 t90 71.13 -62.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 108.019 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.49 ' O ' HG22 ' A' ' 109' ' ' THR . 16.9 t70 -69.47 53.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.668 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.3 p -158.82 -56.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.383 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.668 ' C ' ' O ' ' A' ' 109' ' ' THR . 61.9 mt 11.68 -107.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 147.47 -41.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.83 -62.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.577 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 21.3 m -51.63 -22.62 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.693 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -87.22 -37.45 17.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.5 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.1 mtmt -67.5 -38.19 83.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.577 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 2.7 pttt -64.32 -16.84 62.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.677 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -97.42 -9.7 26.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 0.0 109.96 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.593 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 28.4 mt -72.63 -30.05 63.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.3 p30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -141.34 124.24 9.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.447 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.98 134.77 18.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.436 1.756 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 9.9 p -154.84 -134.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.51 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 32.94 90.49 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 4.38 4.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.506 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.6 OUTLIER -140.46 -44.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.603 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -64.0 -7.21 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.203 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.619 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.57 -33.59 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.862 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.2 m-85 -89.89 -3.08 58.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -104.91 -13.79 15.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.603 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.4 OUTLIER -99.23 -39.95 8.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.743 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.55 172.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.36 13.6 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 5.0 p -167.55 90.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.593 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 1.3 t -99.82 116.33 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.577 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -141.85 123.59 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.651 ' CZ ' ' CZ3' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -76.79 40.96 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.322 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.625 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.3 t -63.32 174.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.374 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.465 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 12.8 ptmt -128.51 120.22 26.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -92.05 109.45 20.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.499 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 1.5 m -112.15 -35.62 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.493 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -116.11 169.38 9.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -151.9 179.28 8.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.645 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.1 ttpt -144.44 111.84 6.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.588 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 4.9 tt0 -74.33 91.68 2.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.357 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.47 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 33.1 m -107.31 116.56 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.5 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -57.54 162.25 3.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.439 ' OG ' HG22 ' A' ' 40' ' ' ILE . 2.1 t -147.4 18.57 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.66 177.5 46.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.479 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.2 m-80 -85.27 162.33 19.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 0.773 . . . . 0.0 109.291 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.8 t0 -93.74 -162.6 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.504 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.9 mp -80.19 1.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.21 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -109.52 -0.79 18.64 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.5 -8.88 75.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.479 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.1 p-10 -78.31 153.36 79.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 130.14 12.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.439 HG22 ' OG ' ' A' ' 31' ' ' SER . 64.6 mt -64.97 -79.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.588 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.2 tppt? 70.03 125.25 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.683 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.2 68.97 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.47 139.34 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.683 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 6.1 mm-40 -81.72 -177.86 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.565 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.84 69.3 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.9 tt0 -63.17 68.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.625 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.6 pt -66.66 -175.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.465 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -120.52 -3.86 9.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.53 ' CD ' ' OD1' ' A' ' 59' ' ' ASP . 19.2 mm100 59.85 125.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 HD13 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -134.16 -38.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -144.51 151.16 38.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.379 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -135.45 67.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.588 ' CD1' HD21 ' A' ' 118' ' ' LEU . 46.7 m-85 -44.55 -73.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.552 ' O ' ' N ' ' A' ' 18' ' ' VAL . 13.3 tptt -125.88 159.56 32.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' N ' ' HG3' ' A' ' 54' ' ' LYS . . . 134.25 -143.96 15.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.499 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.1 Cg_endo -74.96 -163.04 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -116.67 -30.99 5.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.36 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -71.14 -76.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.677 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 2.7 t0 149.89 163.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.677 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 1.3 mm -104.57 -76.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.68 -9.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.286 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.583 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -142.4 93.7 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.95 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.532 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -97.96 171.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.758 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -124.96 146.8 49.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.565 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.8 t -161.21 -161.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.519 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -106.58 153.75 40.41 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.384 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.54 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.07 -160.13 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.32 -170.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.994 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.7 p -73.42 53.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.454 ' CA ' ' HB3' ' A' ' 75' ' ' SER . . . 63.4 102.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.494 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -112.14 -30.57 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.494 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 12.1 m -132.04 12.2 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 108.256 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.603 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.81 -151.58 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.534 ' O ' ' C ' ' A' ' 75' ' ' SER . 99.2 t -115.69 4.71 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.534 ' C ' ' O ' ' A' ' 74' ' ' VAL . 19.1 p 27.81 86.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.09 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.629 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.29 136.89 43.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.515 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -126.08 -0.31 7.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.569 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.4 t 72.34 -54.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.66 -11.18 1.81 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -118.99 -30.63 1.57 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.498 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -112.27 -95.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 0.794 . . . . 0.0 109.294 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.569 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.53 -84.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 106' ' ' PRO . 5.1 mp0 -145.52 159.28 43.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.787 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.3 p90 -145.4 152.61 40.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.7 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.27 5.01 24.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.787 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 9.31 101.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.743 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -127.48 106.63 9.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -159.67 156.31 27.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -36.22 94.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 109.359 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -55.57 175.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.516 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 21.0 tp10 -120.94 5.85 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.181 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.4 -108.47 0.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.114 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.04 135.98 23.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 84.83 -2.22 88.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.23 142.73 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.532 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.94 -168.6 3.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.758 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -127.47 130.61 49.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.606 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.522 ' CD1' HG13 ' A' ' 86' ' ' ILE . 4.8 pt -141.78 142.57 28.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.535 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.7 OUTLIER -140.02 163.82 31.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.413 1.071 . . . . 0.0 110.421 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.603 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -58.92 -46.57 87.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.444 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -62.44 -29.59 70.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 108.37 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.487 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 6.4 t0 -75.59 167.5 21.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.862 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -71.16 117.95 13.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.535 ' CD1' ' O ' ' A' ' 99' ' ' THR . 5.4 pt -164.84 135.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -156.83 157.61 30.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.561 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.0 Cg_endo -75.02 4.62 4.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.651 ' CZ3' ' CZ ' ' A' ' 20' ' ' ARG . 1.8 t90 77.92 -56.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.003 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.529 ' O ' ' CG2' ' A' ' 109' ' ' THR . 38.8 t70 -69.24 50.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.245 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.715 ' O ' ' C ' ' A' ' 110' ' ' LEU . 20.9 p -158.32 -51.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.715 ' C ' ' O ' ' A' ' 109' ' ' THR . 42.7 mt 4.45 -105.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.653 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 144.92 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.36 -64.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.468 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.506 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 19.9 m -50.15 -25.29 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.644 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -83.8 -35.19 24.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.458 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -70.4 -42.57 71.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -62.95 -19.43 64.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.649 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -96.62 -6.96 35.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.942 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -81.7 -23.81 36.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.8 p30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.526 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 4.7 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.9 p -67.38 111.41 7.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.465 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.6 Cg_endo -74.95 70.1 5.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.401 1.738 . . . . 0.0 111.055 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.633 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.0 p -93.66 -134.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.633 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 40.62 93.81 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.6 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.439 1.758 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.644 ' NE2' ' HG ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -121.19 -38.48 2.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 12.0 mt-30 -58.25 -9.27 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.635 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.37 -38.29 24.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.878 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -87.42 1.47 53.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -109.56 -16.77 13.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 108.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -94.9 -38.66 10.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.693 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.06 173.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.399 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -155.66 18.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.522 ' O ' HG11 ' A' ' 17' ' ' VAL . 7.3 p -167.45 80.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.567 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.93 117.45 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.533 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -143.09 125.03 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.696 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 6.1 mtp180 -75.77 38.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.635 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.3 t -59.89 169.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.563 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 14.7 ptmt -124.55 119.31 28.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.595 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.72 94.7 8.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.441 ' CG1' ' HE2' ' A' ' 22' ' ' LYS . 11.3 m -98.28 -35.71 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.517 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -113.43 162.06 16.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.73 -177.16 5.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -152.32 111.72 3.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.5 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -74.41 92.1 2.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.234 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 m -98.51 80.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -45.36 140.06 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.525 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.5 t -125.53 29.87 5.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 59.94 -169.91 7.04 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.7 m-20 -83.83 164.68 19.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 0.726 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.5 t0 -95.23 -162.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.517 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -80.14 1.26 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -108.35 -1.33 20.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.96 -9.07 75.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.489 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -78.08 153.21 79.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.791 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.12 129.13 11.95 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 41' ' ' LYS . 33.3 mt -73.63 -96.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.5 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 22.9 ttmt 73.42 122.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.639 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -127.14 68.39 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.544 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -37.74 146.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.647 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mm-40 -89.57 179.21 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.659 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -137.24 68.33 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.517 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.5 tt0 -63.24 70.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.635 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -65.32 -167.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.652 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.9 ttpt -133.52 12.34 4.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.652 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 41.9 110.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.511 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -118.48 -28.87 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.534 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -152.63 167.8 27.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.19 69.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -40.98 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.511 ' HB3' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -132.22 71.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.02 -157.83 9.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.43 1.753 . . . . 0.0 111.01 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -87.89 -33.61 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.547 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.03 -81.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 0.0 109.252 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 5.0 t70 152.45 170.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.064 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.476 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -102.48 -72.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.581 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 73.64 -9.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.54 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -145.72 98.49 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.525 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -105.8 168.51 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.582 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.6 m-85 -121.6 151.77 40.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.659 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 3.9 t -166.99 -169.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.348 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.54 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -103.3 149.62 37.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.544 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.02 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 65.89 -157.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.941 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 5.7 p -80.77 25.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 86.19 99.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.546 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -106.25 -41.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.219 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 13.1 m -121.97 12.81 10.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.489 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -151.37 -161.82 10.33 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.531 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 43.8 t -109.5 -0.57 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.76 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 74' ' ' VAL . 25.8 p 31.04 79.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 110.044 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.589 HD12 ' CD2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.03 129.52 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.24 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.539 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -107.48 -8.34 16.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.558 HG21 ' O ' ' A' ' 82' ' ' LYS . 2.5 t 70.51 -52.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.89 -15.48 0.17 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -117.59 -30.73 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.539 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -103.0 -93.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 168.36 -84.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 7.6 mp0 -151.15 149.68 29.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.805 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.3 p90 -126.37 154.5 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.676 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.55 4.4 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.805 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.13 105.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.716 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -130.81 109.91 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.409 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -144.77 -177.7 19.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.4 -32.21 25.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.574 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 78.45 175.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.538 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.7 tp10 -133.15 4.58 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.14 -124.83 4.47 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.04 141.9 51.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 0.726 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.451 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 79.4 -3.91 65.62 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -173.89 139.66 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.574 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -145.77 -173.29 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.998 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.46 130.68 53.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.542 ' CD1' ' CG1' ' A' ' 86' ' ' ILE . 14.7 pt -142.11 133.35 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.578 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 63.0 p -133.39 159.9 38.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.581 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -54.2 -16.88 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 99' ' ' THR . 0.4 OUTLIER -96.26 -26.71 15.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 108.273 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.638 ' O ' ' C ' ' A' ' 103' ' ' PHE . 8.6 t0 -83.44 104.49 13.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.878 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -11.68 120.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 102' ' ' ASP . 3.9 pt -166.97 135.45 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -156.77 157.96 31.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.647 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.09 12.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.696 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.2 t90 70.92 -61.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.5 ' O ' HG22 ' A' ' 109' ' ' THR . 43.7 t0 -69.36 52.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.67 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.9 p -159.13 -55.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.67 ' C ' ' O ' ' A' ' 109' ' ' THR . 62.9 mt 10.9 -106.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 148.52 -43.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.558 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.8 -65.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.397 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.551 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 22.4 m -50.37 -21.23 1.34 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.715 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -87.38 -37.93 16.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.528 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.5 mtmt -67.42 -39.06 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.551 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 1.9 pttt -64.14 -14.57 55.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.644 ' HG ' ' NE2' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -97.68 -15.5 20.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.447 HD13 ' HG3' ' A' ' 115' ' ' LYS . 83.0 mt -71.86 -29.33 64.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.417 ' ND2' ' C ' ' A' ' 119' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 p -141.35 113.83 6.77 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.484 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 71.45 4.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.787 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.528 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 7.4 p -82.78 -133.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.528 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 32.62 91.24 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.616 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 3.82 5.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.414 1.744 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.492 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 6.7 tp-100 -140.52 -41.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.463 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 1.1 mt-30 -67.3 -6.32 18.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.559 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -84.33 -36.8 22.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.876 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -87.25 -4.88 59.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 m -102.8 -16.65 15.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 108.277 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -94.2 -40.4 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.736 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.6 173.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.49 17.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.602 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 6.9 p -166.94 81.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.567 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.96 119.39 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.55 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -145.45 126.72 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.687 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.4 ttp180 -77.85 42.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.61 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.9 t -64.41 165.53 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 13.4 ptmt -119.43 122.23 41.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -95.93 103.28 15.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.599 1.187 . . . . 0.0 109.322 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.521 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 4.6 m -107.58 -38.01 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.49 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.3 t -113.16 159.01 19.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 1.1 mp0 -144.79 -175.64 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.36 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.641 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.6 ttpt -151.93 114.76 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.595 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 0.7 OUTLIER -74.97 95.79 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.2 m -102.55 78.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.45 140.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.537 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.4 t -126.9 31.42 5.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.972 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.17 -170.33 7.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.429 1.08 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.1 m-20 -84.41 165.87 17.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -96.09 -161.9 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.522 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.67 0.16 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.217 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -107.89 -0.74 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.66 -8.98 75.66 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.459 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -77.51 152.55 81.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.383 0.696 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.11 129.34 12.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.442 HG22 ' OG ' ' A' ' 31' ' ' SER . 25.3 mt -73.12 -95.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' HD3' ' CD1' ' A' ' 43' ' ' ILE . 17.3 ttmt 73.14 118.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.626 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.1 ptt180 -122.56 67.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.595 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 1.2 mp -38.1 146.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.641 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.3 mm-40 -88.7 -179.51 6.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.927 ' HH ' ' N ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.33 68.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 14.4 tt0 -62.34 68.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.614 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.5 pt -65.97 -176.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.7 OUTLIER -118.39 -4.81 10.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.512 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 14.2 mm100 54.31 111.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.459 HD12 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -118.76 -35.25 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.445 ' N ' HG12 ' A' ' 50' ' ' ILE . 1.5 tttt -144.7 163.66 33.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.513 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -143.27 68.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 111.032 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CZ ' ' CD1' ' A' ' 118' ' ' LEU . 1.3 m-85 -37.84 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.89 73.55 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.72 -162.52 11.65 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.415 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.1 Cg_endo -75.06 -172.81 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.434 1.755 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -93.03 -33.75 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.626 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -74.31 -81.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.626 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 153.7 165.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.596 1.185 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.496 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.7 OUTLIER -105.63 -79.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.542 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.09 -8.7 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.0 m-85 -142.81 94.24 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.555 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -100.99 171.26 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.624 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 7.3 m-85 -122.39 154.9 37.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.606 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.9 t -171.91 -170.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.476 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.57 146.39 32.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.515 ' HB3' HD12 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.0 -161.26 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER 58.73 -168.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.06 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 70' ' ' ALA . 15.4 p -68.77 55.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.021 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 51.96 101.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.412 HG21 ' N ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -102.59 -37.91 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 0.8 OUTLIER -133.83 20.11 3.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 108.256 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.48 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.04 -163.11 11.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.422 1.076 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.546 ' O ' ' C ' ' A' ' 75' ' ' SER . 62.7 t -110.23 5.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 74' ' ' VAL . 90.0 p 26.7 85.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.927 ' N ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -103.31 133.08 48.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.333 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.52 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.1 p30 -120.17 -4.63 10.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.575 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.4 t 72.96 -49.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -54.67 -11.83 3.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.54 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -120.57 -36.69 0.77 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.54 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -101.26 -96.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 0.725 . . . . 0.0 109.328 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.575 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.25 -82.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.555 ' O ' ' O ' ' A' ' 106' ' ' PRO . 1.3 mp0 -148.21 158.24 43.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.817 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 3.0 p90 -142.35 152.37 42.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.696 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.23 4.49 26.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.817 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.04 105.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.736 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -130.96 111.02 11.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.426 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -144.31 177.98 22.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -49.79 -26.66 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.238 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.524 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 76.83 175.43 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.538 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.7 tp10 -132.98 5.24 3.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.1 -121.36 3.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.78 142.81 50.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.478 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 79.93 -5.71 61.38 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.561 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -172.73 147.22 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.789 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.555 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.16 -169.53 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.406 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -125.55 132.28 52.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.0 109.65 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.528 ' CD1' ' CG1' ' A' ' 86' ' ' ILE . 10.6 pt -145.02 135.74 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.561 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 1.4 p -137.98 162.88 32.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.561 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -60.89 -27.6 68.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.413 ' SG ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -77.11 -31.04 55.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 108.3 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.414 ' O ' HG12 ' A' ' 104' ' ' ILE . 3.2 t0 -80.9 170.09 16.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.223 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.876 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.27 118.87 13.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 111.058 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.561 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.1 pt -165.26 135.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.468 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.73 158.26 31.71 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.572 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.98 7.4 2.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.687 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 9.2 t90 74.57 -58.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 107.998 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.495 ' O ' ' CG2' ' A' ' 109' ' ' THR . 53.7 t0 -69.45 51.22 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 8.5 p -158.32 -51.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.708 ' C ' ' O ' ' A' ' 109' ' ' THR . 53.6 mt 5.52 -107.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.387 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 145.51 -39.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.615 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.66 -64.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 110.451 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.508 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 2.9 m -48.54 -26.85 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.729 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -83.75 -35.43 24.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.389 1.055 . . . . 0.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.41 ' HG3' HD12 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -68.91 -41.55 78.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.508 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.55 -15.13 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.637 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -97.83 -8.71 27.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.037 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.569 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 49.5 mt -77.29 -29.85 53.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.518 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 2.1 t . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 37.2 p -97.27 127.52 38.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.94 101.39 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.548 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.6 p -121.52 -132.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.548 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.39 90.47 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.394 0 O-C-N 124.458 1.099 . . . . 0.0 109.605 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.452 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.06 -28.8 8.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.441 1.759 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 6.0 tp-100 -115.53 -31.62 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.531 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -70.42 -6.92 39.19 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.599 ' O ' ' CD2' ' A' ' 103' ' ' PHE . . . -84.7 -36.72 21.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.408 1.067 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.911 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.1 m-85 -90.19 7.25 39.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.4 m -116.4 -8.72 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 108.34 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.531 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -105.36 -38.91 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.765 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.76 172.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.78 14.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 13.6 p -165.68 87.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.598 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -98.78 120.06 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.541 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -145.7 125.98 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.68 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.1 mtp180 -76.96 39.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.571 1.169 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.62 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.9 t -63.75 163.27 11.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.49 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 14.6 ptmt -118.62 122.3 42.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.49 101.04 12.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.48 ' CG1' HG12 ' A' ' 78' ' ' VAL . 5.3 m -104.28 -34.87 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.515 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.0 t -116.88 161.7 18.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.051 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.2 mp0 -144.36 -176.38 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.676 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.0 ttpt -152.1 113.09 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.3 tt0 -75.0 92.05 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.421 HG23 ' NE2' ' A' ' 44' ' ' GLN . 11.5 m -99.28 95.48 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.496 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.7 m-20 -44.9 146.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.544 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.2 t -133.08 18.71 4.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.86 -175.24 23.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.2 m120 -84.66 164.87 18.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 0.754 . . . . 0.0 109.238 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.4 t0 -94.52 -162.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.525 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -80.08 0.84 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -107.93 -0.71 21.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 -8.66 76.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -78.87 154.09 77.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 131.54 14.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.544 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 47.1 mt -73.31 -83.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.548 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.33 123.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.639 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 2.3 ptt180 -128.82 67.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 28' ' ' GLU . 1.1 mp -40.54 143.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.676 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.5 mm-40 -86.52 -177.78 6.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -137.59 68.76 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.8 tt0 -62.03 71.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.616 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.9 pt -70.64 -176.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -119.99 10.11 11.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.568 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.0 mm100 36.8 100.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.5 ' CD1' ' OE2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -108.64 -33.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.536 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -143.93 162.83 35.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.3 OUTLIER -144.46 70.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 111.044 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.554 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 1.3 m-85 -36.46 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HB3' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -132.02 80.94 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.179 . . . . 0.0 109.341 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.95 -160.86 10.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.573 1.17 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.49 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.02 -171.44 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -94.68 -33.6 12.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.607 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -72.84 -79.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.607 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.3 t70 148.2 165.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.393 1.058 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.49 HD12 ' CG ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -106.88 -78.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.501 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 74.23 -9.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.569 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -142.36 96.35 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.562 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -99.65 169.35 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.632 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -123.24 150.0 44.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.576 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 7.8 t -165.92 -163.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.495 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -107.66 153.51 41.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.548 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.01 -159.23 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.529 1.805 . . . . 0.0 111.005 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.412 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.4 OUTLIER 58.76 -168.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.975 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.86 48.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.03 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 67.53 100.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.505 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -109.29 -34.61 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 99' ' ' THR . 12.1 m -127.22 8.58 6.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.289 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.606 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.8 -149.94 5.13 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.523 ' O ' ' C ' ' A' ' 75' ' ' SER . 87.2 t -117.67 3.83 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.523 ' C ' ' O ' ' A' ' 74' ' ' VAL . 90.1 p 28.34 83.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.622 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.44 129.65 50.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.588 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -117.0 -8.38 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.588 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 1.4 t 75.49 -28.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.56 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.59 -11.19 34.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.501 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -128.57 -34.21 0.54 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -95.78 -101.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.472 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.74 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.515 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -161.7 166.19 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 110.309 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.797 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.4 p90 -149.75 152.36 35.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.696 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.33 4.88 25.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.797 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.08 104.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.765 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -129.82 109.51 10.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -144.88 178.17 22.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -47.03 -38.69 11.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.533 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 85.43 176.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.542 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.6 tp10 -134.55 5.97 3.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.595 1.184 . . . . 0.0 110.345 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.02 -121.73 3.84 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.496 1.123 . . . . 0.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.405 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -130.13 144.44 51.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.481 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.52 -4.48 59.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.26 144.0 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 109.258 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.562 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.77 -168.35 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.632 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -130.2 128.46 41.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.588 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.526 ' CD1' HG13 ' A' ' 86' ' ' ILE . 4.0 pt -140.13 141.43 33.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.538 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -138.03 164.51 28.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.402 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.606 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.4 pt? -58.86 -48.07 82.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.45 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 2.6 t -61.32 -27.63 68.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 108.385 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.487 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.3 t0 -77.87 165.75 23.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.911 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.23 117.63 12.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 103' ' ' PHE . 6.4 pt -164.99 135.08 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.542 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.57 158.6 32.65 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.615 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.98 11.19 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.68 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 19.4 t90 71.57 -61.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.94 -1.134 . . . . 0.0 107.94 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.491 ' O ' HG22 ' A' ' 109' ' ' THR . 32.3 t70 -69.6 53.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.684 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.4 p -158.87 -53.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.684 ' C ' ' O ' ' A' ' 109' ' ' THR . 72.5 mt 9.48 -107.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 145.85 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.059 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.591 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.2 -64.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.393 1.058 . . . . 0.0 110.413 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 15.2 m -49.55 -26.03 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.176 . . . . 0.0 110.401 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.721 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -84.01 -36.28 23.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.488 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -69.23 -42.29 75.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.469 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.07 -15.06 42.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.612 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.95 -21.6 18.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.024 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.491 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 75.2 mt -63.88 -29.24 70.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.2 p -143.18 117.92 6.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.05 73.86 4.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 7.4 p -83.98 -132.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.534 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 31.42 90.86 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 0.0 109.506 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 5.06 4.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.457 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 9.1 tp-100 -142.08 -40.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.3 mt-30 -70.16 -0.94 8.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.565 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -89.2 -34.02 16.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.865 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.3 m-85 -88.98 -20.46 24.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.7 m -86.81 -13.45 45.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 108.36 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.91 -43.06 7.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.704 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -51.88 169.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -149.6 16.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.548 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 6.2 p -164.57 82.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.576 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -97.47 120.63 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.535 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.1 pt -145.94 125.54 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.646 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 17.4 mtp180 -77.35 41.13 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.622 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.4 t -62.65 173.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 110.339 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 14.5 ptmt -127.34 119.55 26.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.612 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.89 103.14 15.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.508 ' CG1' HG12 ' A' ' 78' ' ' VAL . 2.8 m -106.18 -37.04 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.516 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -110.47 167.55 10.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -152.72 -175.69 5.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.246 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.667 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -152.02 115.2 4.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.543 ' CG ' HD13 ' A' ' 43' ' ' ILE . 1.2 tt0 -76.48 93.97 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.408 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 30.8 m -109.95 119.18 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.409 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 1.8 m-20 -68.13 155.33 39.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.47 ' OG ' HG23 ' A' ' 40' ' ' ILE . 4.4 t -137.27 20.65 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.75 179.31 49.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.462 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -83.3 162.94 20.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.6 t70 -94.97 -160.62 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.526 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -81.67 -0.15 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -108.24 -0.81 20.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.06 -9.47 74.59 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.462 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -77.21 152.89 82.07 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.91 11.83 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.554 1.818 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.47 HG23 ' OG ' ' A' ' 31' ' ' SER . 55.9 mt -65.43 -86.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.478 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 19.7 ttmm 74.97 127.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.636 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -131.83 69.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.543 HD13 ' CG ' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -37.98 148.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.667 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.6 mm-40 -89.81 177.31 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.988 ' HH ' ' N ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.68 67.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.516 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 11.2 tt0 -62.48 70.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.622 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.4 pt -65.7 -174.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -124.64 0.57 8.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 55.16 124.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.446 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -131.5 -33.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -151.12 165.04 35.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -144.2 71.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.646 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -42.21 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -129.07 62.69 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.31 -159.41 12.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD3' HG22 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.08 -167.43 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -94.38 -36.22 12.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -80.21 -80.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.522 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t0 155.58 170.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.461 HG13 ' CD1' ' A' ' 19' ' ' ILE . 1.4 mm -100.14 -71.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.13 -9.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.603 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -146.64 99.25 3.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.525 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -104.52 171.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.654 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 11.1 m-85 -124.04 145.53 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.064 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.571 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 9.2 t -162.42 -166.54 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.472 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -103.04 149.91 37.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.503 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.05 -160.46 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.45 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.41 -160.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.575 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 47.9 t -80.21 25.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.991 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 89.89 99.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -105.92 -40.41 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 21.0 m -126.24 20.13 7.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 108.341 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.536 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -155.65 -158.49 8.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.523 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 26.0 t -113.85 -0.14 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 32.12 88.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.05 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.988 ' N ' ' HH ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -103.39 133.96 47.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.54 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -116.91 -7.01 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.569 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 72.0 -53.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.468 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -49.43 -14.52 0.6 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.575 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -116.49 -35.98 1.13 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.575 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -101.26 -99.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.221 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.569 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 169.51 -83.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.558 ' O ' ' O ' ' A' ' 106' ' ' PRO . 5.7 mp0 -148.2 148.77 30.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.835 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.4 p90 -129.33 153.94 47.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.61 1.194 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.693 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.11 2.79 37.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.835 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.12 103.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.799 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -127.99 109.25 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 89' ' ' LYS . . . -146.15 167.74 27.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.161 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' GLY . 1.6 tttm -36.88 -34.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.519 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . 81.31 176.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.531 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.4 tp10 -134.25 7.73 3.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.05 -121.92 4.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.54 145.34 51.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.589 0.817 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 76.91 -2.92 58.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.66 147.36 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 0.731 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.531 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -150.05 -168.96 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.406 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -127.28 132.26 50.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.567 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.51 ' CD1' ' CG1' ' A' ' 86' ' ' ILE . 10.1 pt -145.46 135.29 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.568 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 5.9 p -135.74 163.27 30.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.536 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -62.35 -28.55 69.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -26.92 51.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 108.292 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.413 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.7 t70 -83.83 172.48 12.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.865 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -72.64 119.2 16.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.568 ' CD1' ' O ' ' A' ' 99' ' ' THR . 5.2 pt -165.57 134.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.69 157.64 31.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.58 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 10.62 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.463 1.77 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.519 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 15.8 t90 71.89 -59.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.49 ' O ' ' CG2' ' A' ' 109' ' ' THR . 25.6 t70 -68.74 51.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.7 p -158.66 -54.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.688 ' C ' ' O ' ' A' ' 109' ' ' THR . 48.2 mt 7.43 -108.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 147.74 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.615 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.63 -65.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.435 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.506 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 2.4 m -48.23 -24.0 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.709 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -86.88 -39.58 15.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.422 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -65.19 -38.99 92.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.5 -18.46 59.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.614 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -92.81 -11.46 33.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.945 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.645 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 63.3 mt -85.02 -21.84 29.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.9 p -108.66 108.5 60.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.421 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -75.04 127.3 10.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.538 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 9.9 p -153.73 -134.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.538 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 37.42 89.93 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.94 8.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.523 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.8 OUTLIER -136.45 -42.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.534 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -62.44 -7.96 5.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.606 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -81.8 -34.7 30.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.864 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.3 m-85 -90.3 2.57 55.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -110.03 -13.32 14.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 108.276 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.502 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -100.08 -41.45 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.76 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.03 170.94 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.87 12.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 4.6 p -166.68 93.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.553 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -101.03 122.12 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.539 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.88 124.72 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.674 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 5.3 mtm180 -77.84 38.66 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.082 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.596 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.3 t -61.47 170.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 15.4 ptmt -124.49 120.49 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.545 ' O ' ' CG2' ' A' ' 78' ' ' VAL . . . -91.68 105.0 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.485 HG13 ' CG1' ' A' ' 78' ' ' VAL . 1.3 m -106.88 -37.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.531 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -113.05 167.14 10.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -150.04 -173.41 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.0 ttpt -154.12 113.44 3.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.511 ' CG ' HD13 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -76.51 91.53 3.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.408 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 32.0 m -106.15 108.31 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.27 148.95 49.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.457 ' O ' ' OG ' ' A' ' 31' ' ' SER . 3.1 t -130.24 26.27 5.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.932 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.39 -177.35 33.17 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.565 1.165 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.487 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -84.23 163.69 19.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.5 t0 -95.39 -161.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.524 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.5 mp -80.71 0.7 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.18 -1.06 20.59 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.52 -8.64 76.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.416 1.072 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.487 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.76 152.16 77.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.9 129.23 12.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.411 1.742 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 41' ' ' LYS . 54.4 mt -68.08 -89.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 20.3 ttmm 74.04 126.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.665 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -132.14 69.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.512 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -37.94 150.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 10.9 mm-40 -92.57 178.92 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.552 ' O ' ' N ' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -135.7 69.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.531 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.2 tt0 -63.78 66.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.569 1.168 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.599 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.0 pt -65.8 -178.29 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 9.5 ttpt -115.55 -7.53 12.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.175 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.527 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.6 mm100 56.9 112.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.438 HG12 ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -120.57 -34.35 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -144.27 163.62 33.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.343 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.473 ' O ' ' CG ' ' A' ' 52' ' ' MET . 3.5 ptp -145.37 72.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.674 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 1.7 m-85 -42.81 -74.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 18' ' ' VAL . 10.5 tptp -128.63 164.44 22.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.456 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 128.57 -140.82 12.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.563 1.164 . . . . 0.0 111.085 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -165.9 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.34 -29.5 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -68.73 -80.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.557 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.2 t70 154.62 159.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.529 HG13 ' SD ' ' A' ' 96' ' ' MET . 1.4 mm -99.87 -79.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HG3' ' CG ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER 75.06 -9.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -144.55 97.95 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 111.021 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.542 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -106.72 168.72 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.646 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.7 m-85 -120.9 154.16 36.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.546 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 8.5 t -167.49 -165.34 0.66 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.481 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -103.51 149.13 36.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.512 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.02 -157.95 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.82 -170.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 t -69.78 53.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.415 ' CA ' ' HB3' ' A' ' 75' ' ' SER . . . 56.89 103.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.477 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -111.75 -38.97 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.514 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 24.7 m -123.0 15.0 9.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.58 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.15 -157.11 7.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.127 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.496 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 81.1 t -110.44 -0.82 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 0.802 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 74' ' ' VAL . 15.0 p 32.51 84.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.063 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.645 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.48 140.59 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.472 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -126.93 2.02 6.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.245 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 2.5 t 68.95 -56.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -57.3 -9.28 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.413 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.42 -17.69 4.74 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.34 -90.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.72 -67.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.532 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -164.31 165.32 21.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.801 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.5 p90 -150.94 152.45 33.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.667 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.3 0.41 45.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.801 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 13.9 101.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.76 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -128.44 107.74 9.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.416 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -139.27 175.35 21.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.097 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -47.41 -31.23 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 84.38 -179.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.389 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.58 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.1 tp10 -135.72 -37.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.63 -142.05 6.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.073 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.91 129.38 54.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 79.26 3.93 88.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -170.91 134.09 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.58 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -137.79 -160.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.53 125.62 21.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.624 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.524 ' CD1' HG13 ' A' ' 86' ' ' ILE . 3.4 pt -139.25 139.79 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.574 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 1.4 p -137.51 166.07 24.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.58 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -63.27 -33.74 76.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -29.53 63.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.257 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.423 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 14.8 t0 -78.36 170.14 17.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.864 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.7 118.01 14.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.574 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.7 pt -165.02 133.58 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.481 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -152.51 157.82 33.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.562 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 8.4 2.44 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' A' ' 109' ' ' THR . 10.6 t90 73.51 -58.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.989 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 109' ' ' THR . 18.5 t70 -68.16 51.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.8 p -158.32 -54.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.708 ' C ' ' O ' ' A' ' 109' ' ' THR . 45.3 mt 6.51 -107.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.659 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 145.01 -39.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.616 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.57 -65.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.523 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 2.5 m -49.21 -24.79 1.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.453 1.096 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.707 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -85.65 -30.7 23.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.432 ' HG3' HD12 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -76.16 -40.84 51.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.428 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.11 -18.66 63.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.666 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.45 -14.03 29.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.056 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.571 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 57.5 mt -69.99 -30.86 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.7 p -137.24 118.27 10.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.456 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.87 97.19 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.564 1.823 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.503 ' CG2' ' H ' ' A' ' 7' ' ' HIS . 7.6 p -117.55 -133.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.503 ' H ' ' CG2' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 34.44 86.51 0.13 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.638 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.446 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.03 4.57 4.63 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.512 1.796 . . . . 0.0 111.0 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.509 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.3 OUTLIER -141.66 -44.48 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.4 mt-30 -63.73 -6.64 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.607 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -81.73 -37.14 27.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.854 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 2.0 m-85 -88.03 2.42 51.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 m -111.79 -15.22 13.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.291 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.02 -40.19 8.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.768 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.95 173.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.78 15.16 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.525 HG13 ' CB ' ' A' ' 90' ' ' ALA . 10.7 p -166.47 87.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.657 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.2 120.37 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.58 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.8 OUTLIER -145.49 124.63 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.172 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.608 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.6 tmm_? -78.63 41.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.65 HG22 ' CE1' ' A' ' 84' ' ' TYR . 1.1 t -63.55 175.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.491 ' N ' ' HG1' ' A' ' 21' ' ' THR . 16.3 ptmt -129.0 119.13 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.554 ' O ' ' CG2' ' A' ' 78' ' ' VAL . . . -91.6 105.0 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.43 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 2.9 m -107.83 -36.21 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.0 t -115.51 163.25 16.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.055 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 2.2 mp0 -148.13 -176.54 5.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.2 ttpt -151.29 111.71 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.504 ' HA ' HD13 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -74.8 92.55 2.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.1 m -102.5 86.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -46.87 147.48 1.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.365 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.514 ' OG ' HG23 ' A' ' 40' ' ' ILE . 3.3 t -132.29 30.86 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.07 -173.27 10.19 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -83.97 165.25 18.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.3 t0 -95.64 -161.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.526 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.52 0.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -107.41 -1.93 21.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.31 -7.99 79.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.488 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -79.29 153.41 76.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.01 129.04 11.96 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.521 1.8 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.514 HG23 ' OG ' ' A' ' 31' ' ' SER . 59.6 mt -70.52 -95.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 25.4 ttmt 74.81 121.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.208 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.635 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -125.83 66.04 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -35.43 146.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.653 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.1 mm-40 -88.45 -179.49 6.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.882 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -138.07 66.53 1.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.484 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.0 tt0 -63.05 69.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.643 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.0 pt -66.03 -169.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.523 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -126.64 0.03 6.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 51.66 112.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.485 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -122.38 -31.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.12 163.59 37.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.71 69.55 1.26 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 118' ' ' LEU . 1.2 m-85 -37.96 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.533 1.146 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.74 73.52 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.35 -164.66 11.81 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HD3' ' CG2' ' A' ' 17' ' ' VAL . 18.0 Cg_endo -75.08 -168.74 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.561 1.822 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -88.73 -36.92 15.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.651 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.31 -77.86 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.651 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.7 t70 140.87 159.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.592 ' CD1' ' O ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -112.08 77.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.24 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.463 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -72.87 -9.63 58.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 110.346 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 4.8 m-85 -131.96 89.95 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.528 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.4 OUTLIER -92.52 168.49 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.628 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 15.7 m-85 -120.85 148.67 43.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.566 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 8.9 t -164.95 -166.18 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.448 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.478 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -107.08 147.84 35.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.57 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -157.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.02 -170.81 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.945 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.67 52.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.77 98.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -104.62 -34.82 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 99' ' ' THR . 67.3 m -134.02 21.39 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.257 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.486 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -158.37 -157.79 8.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' A' ' 75' ' ' SER . 91.3 t -113.5 1.72 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.508 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.3 OUTLIER 30.07 82.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.96 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.882 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -102.94 134.11 46.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.61 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -119.78 -8.7 9.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.61 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 2.9 t 73.92 -13.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -80.08 -9.15 86.97 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.498 1.123 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.509 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -129.91 -32.02 0.57 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -96.41 -100.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 0.789 . . . . 0.0 109.25 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 164.86 -57.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -167.1 166.5 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.337 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.8 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.5 p90 -151.14 152.56 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.69 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.1 3.11 36.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.8 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.83 101.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.768 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -127.39 108.35 10.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.03 179.15 19.61 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.73 -32.65 14.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 0.813 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 85.65 174.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.3 tp10 -136.45 -42.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -155.0 -135.23 2.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.065 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.592 ' O ' ' CD1' ' A' ' 60' ' ' ILE . 0.2 OUTLIER -113.59 -38.81 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 59' ' ' ASP . . . -106.33 14.39 43.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.577 ' N ' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -172.46 132.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.543 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -134.44 -170.74 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.413 ' O ' HG21 ' A' ' 98' ' ' ILE . 1.1 m170 -122.26 130.25 53.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.519 ' CD1' HG13 ' A' ' 86' ' ' ILE . 6.3 pt -142.74 131.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.589 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 7.0 p -131.43 163.82 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.52 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -62.97 -28.29 69.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -28.95 49.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.438 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 24.2 t0 -80.71 170.2 16.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.854 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.35 117.79 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.579 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.5 pt -165.65 134.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.57 157.69 32.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.598 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.95 7.48 2.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.591 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 7.2 t90 75.49 -60.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 107.96 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.51 ' O ' ' CG2' ' A' ' 109' ' ' THR . 38.2 t0 -69.33 52.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.153 . . . . 0.0 109.219 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.2 p -159.08 -56.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.676 ' C ' ' O ' ' A' ' 109' ' ' THR . 54.9 mt 10.98 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 147.23 -41.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.939 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.5 -64.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.509 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 4.3 m -49.62 -27.33 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.738 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -82.8 -33.17 27.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.492 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.7 OUTLIER -73.29 -41.95 63.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.473 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -61.81 -19.83 62.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.637 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.37 -11.35 35.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 47.7 mt -72.77 -29.34 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.6 p30 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.8 p -103.2 107.31 55.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.061 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 125.85 9.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.782 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.625 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.9 p -152.34 -133.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.625 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.94 86.22 0.14 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.557 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 0.31 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.513 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.4 OUTLIER -136.04 -43.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.483 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -62.49 -7.37 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.371 1.044 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.634 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.39 -34.98 25.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.228 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.865 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -90.54 5.04 49.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.5 m -114.35 -8.77 12.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.337 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.11 -39.58 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.755 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.08 172.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.98 16.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.536 HG13 ' CB ' ' A' ' 90' ' ' ALA . 12.5 p -165.77 83.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.6 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -97.15 118.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.523 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.1 pt -143.78 124.86 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.665 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.7 mtm180 -76.97 38.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.617 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.2 t -61.05 173.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.1 ptmt -126.51 119.94 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.77 97.95 10.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.418 ' CG1' ' HE2' ' A' ' 22' ' ' LYS . 5.4 m -101.23 -36.14 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.0 t -112.39 162.29 15.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.3 mp0 -149.6 -179.33 7.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.0 ttpt -146.53 111.56 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.506 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.3 tt0 -74.08 92.11 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.443 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 33.6 m -107.13 118.0 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 1.4 m-20 -67.32 153.31 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.8 t -135.62 24.93 3.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.44 179.76 35.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.4 m120 -84.34 164.11 19.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.6 t70 -95.09 -161.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.522 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.75 0.88 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -108.73 -1.57 19.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.46 -8.39 79.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.481 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.5 p-10 -78.24 152.31 78.94 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.66 12.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.446 HG22 ' OG ' ' A' ' 31' ' ' SER . 62.5 mt -67.12 -87.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.373 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 20.2 ttmm 75.24 128.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.67 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -132.21 65.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.517 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -36.23 144.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.67 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 9.0 mm-40 -87.57 178.87 6.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.624 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.73 67.02 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.6 tt0 -62.23 70.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.617 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.1 pt -67.34 -175.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.429 1.081 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.6 ttpt -122.0 -1.75 9.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.469 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.34 119.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.459 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -127.74 -31.74 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.482 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.81 167.82 25.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.363 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.7 68.19 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.665 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 1.1 m-85 -37.98 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.36 66.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.83 -158.77 10.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -177.76 3.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.482 1.78 . . . . 0.0 110.963 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.52 -34.44 25.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.3 -78.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.9 t70 152.31 171.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.494 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.6 mm -97.95 -71.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.605 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.95 -8.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.225 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.543 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.6 m-85 -146.48 99.2 3.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.514 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -107.54 168.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.634 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.0 m-85 -123.39 149.49 44.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.624 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.2 t -164.63 -166.26 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.511 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.36 150.43 38.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.517 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.97 -159.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.4 OUTLIER 57.87 -168.59 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.032 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -69.6 53.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.458 ' HB3' ' CA ' ' A' ' 74' ' ' VAL . . . 53.31 99.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.574 ' CG2' ' N ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -103.05 -55.84 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.574 ' N ' ' CG2' ' A' ' 71' ' ' VAL . 79.8 m -104.19 11.09 35.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.271 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.572 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.84 -150.55 5.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.604 1.19 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.517 ' O ' ' C ' ' A' ' 75' ' ' SER . 75.8 t -120.45 0.51 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.517 ' C ' ' O ' ' A' ' 74' ' ' VAL . 6.3 p 28.88 82.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.12 . . . . 0.0 109.939 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.599 HD12 ' CD2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.57 132.33 49.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 80' ' ' GLY . 2.7 p30 -108.86 -8.95 15.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 23' ' ' ALA . 3.0 t 70.27 -52.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -48.44 -13.86 0.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -119.12 -29.66 1.75 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.525 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.23 -92.98 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 168.58 -86.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 8.0 mp0 -150.04 147.0 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.242 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.796 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 1.8 p90 -124.37 154.97 39.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.597 1.185 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.689 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.76 2.94 39.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.796 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.69 102.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.755 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -128.05 109.24 11.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.436 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -144.27 175.25 24.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -42.27 -37.82 1.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 0.746 . . . . 0.0 109.25 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 84.05 174.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.533 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.5 tp10 -134.99 9.02 3.52 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 125.1 -122.06 4.52 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.567 1.167 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 2.6 m-20 -130.15 144.75 51.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 77.58 -2.73 62.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.36 144.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.543 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -147.91 -169.57 3.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.414 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -128.37 128.28 44.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.539 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.2 pt -139.8 144.22 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.557 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.5 OUTLIER -143.91 167.48 22.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.572 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.8 OUTLIER -61.8 -49.34 76.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -18.44 60.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.38 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.427 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.0 t0 -89.63 166.6 13.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.865 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -70.28 115.83 9.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.557 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.2 pt -164.78 130.0 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -151.04 157.28 35.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.585 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.05 10.9 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.525 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 13.2 t90 71.05 -59.31 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 108.065 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.502 ' O ' ' CG2' ' A' ' 109' ' ' THR . 32.0 t0 -68.85 51.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.692 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.6 p -159.07 -54.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.692 ' C ' ' O ' ' A' ' 109' ' ' THR . 38.9 mt 6.74 -107.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 147.06 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.5 -64.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.513 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 1.6 m -49.45 -23.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.672 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -86.37 -36.1 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.246 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.491 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.3 mtmt -70.41 -42.06 72.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.503 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -62.11 -18.87 62.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.64 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.81 -13.14 27.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.545 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 40.6 mt -69.32 -30.03 67.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.5 p30 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.477 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 60.0 p -83.79 113.12 45.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.3 Cg_endo -74.99 96.3 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.441 1.759 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.604 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.0 p -119.04 -132.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.57 85.68 0.15 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.642 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -16.99 19.77 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.544 1.813 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.2 OUTLIER -121.44 -41.69 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.0 mt-30 -64.14 -6.03 5.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.192 . . . . 0.0 110.328 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.612 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.47 -38.28 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.899 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -87.93 -0.75 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.1 m -107.31 -13.87 15.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -99.0 -40.61 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.721 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.78 171.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.32 14.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 2.7 p -164.59 87.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.618 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -99.07 118.89 46.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.574 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -145.76 125.8 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.404 1.065 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.703 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.2 ttp180 -76.67 41.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.657 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.1 t -62.39 169.98 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.487 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 15.0 ptmt -125.32 119.81 29.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.14 103.13 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.494 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 3.4 m -106.12 -38.68 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.506 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -113.44 160.91 17.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.923 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.4 mp0 -144.79 -176.52 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.341 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.631 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.5 ttpt -152.85 114.41 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.461 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.6 tt0 -74.15 91.65 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 5.6 m -97.64 94.09 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.5 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -44.85 144.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.521 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.3 t -132.56 18.9 4.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.014 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.03 -175.03 28.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.3 m-80 -84.63 166.57 16.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.9 t0 -96.16 -162.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.53 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -80.71 0.86 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.84 -0.46 19.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.58 -7.9 79.32 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ASP . 7.4 p-10 -78.7 153.51 78.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.05 129.25 12.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.55 1.816 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.521 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 46.0 mt -70.27 -83.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.552 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.05 123.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.615 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -129.18 66.95 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -39.21 147.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.649 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 9.3 mm-40 -90.06 179.13 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.868 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -135.62 70.57 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.506 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 7.7 tt0 -64.79 67.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.657 HD11 ' CG2' ' A' ' 21' ' ' THR . 0.8 OUTLIER -63.25 -166.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.631 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -133.98 8.72 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.631 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER 47.57 117.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.495 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -123.72 -31.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -150.65 168.75 23.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.494 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -146.87 65.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.388 1.055 . . . . 0.0 110.968 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 24.7 m-85 -42.59 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -124.8 70.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.404 ' O ' ' HE1' ' A' ' 52' ' ' MET . . . -124.75 -154.25 8.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.09 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.406 ' HD3' HG21 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.02 -170.01 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.445 1.761 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.04 -35.5 15.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -86.2 -78.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.498 ' CG ' ' N ' ' A' ' 60' ' ' ILE . 4.0 t70 156.64 171.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.498 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.2 mm -98.22 -72.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.599 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 74.53 -9.58 1.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.539 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -146.87 97.17 2.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.573 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -105.69 167.1 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.649 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.4 m-85 -121.22 149.99 42.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.638 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 8.0 t -165.67 -161.82 0.53 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.358 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.497 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -107.8 152.64 41.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.552 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.4 Cg_endo -74.98 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.93 -161.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 22.6 t -81.75 32.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 84.54 95.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.479 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -104.67 -35.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 99' ' ' THR . 17.8 m -127.27 9.67 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.59 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.73 -152.12 5.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' A' ' 75' ' ' SER . 87.8 t -115.36 -0.25 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER 32.47 84.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.056 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.868 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -104.45 137.12 42.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.477 ' OD2' ' NZ ' ' A' ' 81' ' ' LYS . 1.1 p30 -124.21 0.08 8.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.42 1.075 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.571 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.4 t 70.58 -57.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.16 -12.86 0.89 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.561 1.163 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.475 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.73 -29.27 2.08 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.5 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -112.3 -94.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.571 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.71 -83.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.4 mp0 -146.75 159.28 43.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.801 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 3.1 p90 -145.07 151.33 38.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.696 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -81.39 4.43 20.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.801 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.6 OUTLIER 9.99 101.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.735 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -129.74 103.9 7.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -158.63 161.76 32.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -34.43 97.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -62.6 176.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.508 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 16.7 tp10 -126.78 8.54 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.5 -115.76 1.99 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -137.66 140.24 40.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 80.1 -0.59 83.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.06 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.01 145.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.573 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -149.97 -168.04 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.437 ' O ' HG21 ' A' ' 98' ' ' ILE . 1.1 m170 -129.0 129.57 45.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.501 ' CD1' HG13 ' A' ' 86' ' ' ILE . 3.4 pt -140.74 149.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.569 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -147.87 164.92 32.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.433 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.59 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.8 OUTLIER -60.31 -48.41 81.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 4.3 t -61.45 -24.56 66.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 108.253 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.416 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.4 t0 -82.18 167.85 18.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.899 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.14 117.09 12.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.569 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.2 pt -165.03 132.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.89 157.87 32.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.572 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 5.72 3.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.426 1.751 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.703 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 5.6 t90 76.99 -58.14 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.526 ' O ' ' CG2' ' A' ' 109' ' ' THR . 8.7 t0 -69.84 51.12 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.7 p -159.01 -55.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.349 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.682 ' C ' ' O ' ' A' ' 109' ' ' THR . 48.7 mt 10.71 -107.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.79 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.595 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.12 -65.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.488 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 30.5 m -49.84 -28.89 7.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.721 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -81.26 -31.14 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.48 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.5 OUTLIER -73.7 -43.22 59.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -62.33 -22.47 66.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.673 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -90.65 -19.65 23.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.581 HD23 ' CZ ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -66.83 -29.54 69.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.381 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.5 p30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.369 179.939 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 5.1 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.453 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 77.9 p -97.98 110.19 54.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.04 11.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.596 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.8 p -155.54 -133.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 40.4 87.84 0.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.4 Cg_endo -74.93 -2.94 13.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.514 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.6 OUTLIER -133.65 -44.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -60.42 -8.55 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.615 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.53 -34.07 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.863 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -89.68 7.59 35.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.69 -13.06 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.317 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.91 -34.34 10.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.375 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.725 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -59.52 172.42 0.68 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 88' ' ' GLY . 15.3 m-20 -151.72 14.85 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 5.5 p -166.53 85.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.548 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.58 118.19 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.531 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -142.26 126.53 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.695 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.5 mtm180 -78.39 38.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.631 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.2 t -61.71 165.99 4.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.5 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 14.6 ptmt -120.23 121.65 39.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.553 ' O ' ' CG2' ' A' ' 78' ' ' VAL . . . -93.75 101.17 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 m -104.79 -36.08 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.528 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -113.65 160.56 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -148.52 -176.33 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.614 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.1 ttpt -153.74 113.95 3.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 0.4 OUTLIER -75.12 96.11 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.338 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.6 m -103.26 80.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -44.55 140.19 2.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.508 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.9 t -126.09 32.33 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.406 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 58.28 -170.91 4.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.57 1.169 . . . . 0.0 110.955 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.9 m120 -84.31 165.49 18.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.62 -162.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.513 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.7 1.24 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -108.6 -1.12 19.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.05 -8.42 78.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.7 p-10 -78.15 152.69 79.46 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.5 Cg_endo -74.96 129.86 12.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.445 1.761 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.425 HG22 ' OG ' ' A' ' 31' ' ' SER . 37.9 mt -74.71 -94.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.499 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 14.7 ttmt 72.13 120.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.252 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.61 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.2 ptt180 -124.53 67.47 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 1.3 mp -38.89 148.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.663 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 9.9 mm-40 -89.69 177.6 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.888 ' HH ' ' N ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.26 68.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.528 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.0 tt0 -63.4 68.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.616 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 2.9 pt -66.87 -174.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.588 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -121.94 9.31 9.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.588 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.9 mm100 37.94 102.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.5 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -111.46 -34.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.49 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -143.7 161.59 38.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.346 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -143.07 71.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 111.04 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.695 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -37.64 -78.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.922 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.82 70.42 1.39 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.42 -164.8 13.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.486 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.97 -174.81 2.07 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.565 1.824 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.48 -33.17 15.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.623 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -72.35 -78.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.623 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.9 t70 146.57 165.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.497 ' HA ' ' CA ' ' A' ' 94' ' ' GLY . 0.8 OUTLIER -107.89 -79.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.508 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 74.27 -10.2 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.7 m-85 -140.95 93.77 2.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.554 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -101.21 168.21 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.663 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.7 m-85 -123.34 151.65 42.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.649 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 10.0 t -166.97 -164.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.08 . . . . 0.0 110.465 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.465 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -110.77 149.28 40.13 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.499 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.06 -159.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER 58.68 -171.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.03 -179.939 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -68.8 54.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 54.62 95.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.56 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -101.81 -37.53 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.56 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 10.6 m -127.42 16.13 7.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 108.274 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.553 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -156.77 -151.29 5.93 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.515 ' O ' ' C ' ' A' ' 75' ' ' SER . 88.6 t -118.95 4.32 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 74' ' ' VAL . 69.3 p 29.32 81.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.888 ' N ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -103.33 130.68 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.63 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -116.94 -10.22 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.63 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 3.5 t 75.0 -12.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.493 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -79.65 -9.81 86.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.502 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -131.0 -26.6 0.75 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.532 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -100.88 -99.6 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.741 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.548 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 163.92 -57.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.548 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -168.21 168.97 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.804 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.2 p90 -151.77 152.83 33.22 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.688 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.37 2.68 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.804 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.94 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.741 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -127.17 110.57 13.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.227 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 16' ' ' ASP . . . -143.1 -178.82 19.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.43 -33.66 31.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.524 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 83.48 174.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.519 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.9 tp10 -133.25 4.92 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.81 -121.46 3.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.87 140.92 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.497 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 81.04 -2.58 80.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.96 144.25 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.571 0.807 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.554 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.18 -169.49 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.415 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -126.39 130.94 51.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.636 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.528 ' CD1' HG13 ' A' ' 86' ' ' ILE . 6.5 pt -142.7 139.85 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -141.58 162.75 34.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.387 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.553 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.7 OUTLIER -57.04 -46.88 82.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 4.9 t -61.29 -30.07 70.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 108.291 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.407 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.7 t0 -79.1 167.08 21.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.863 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -70.29 115.88 9.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 111.028 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.51 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.1 pt -164.56 130.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.523 ' O ' ' CB ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -149.34 157.45 39.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.595 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.95 10.74 1.61 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.521 1.801 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.506 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 13.3 t90 71.62 -60.65 0.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 107.935 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.499 ' O ' ' CG2' ' A' ' 109' ' ' THR . 15.4 t0 -68.41 52.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.686 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.2 p -159.23 -54.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.421 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.686 ' C ' ' O ' ' A' ' 109' ' ' THR . 60.3 mt 8.48 -107.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 146.1 -41.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.592 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.18 -66.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.514 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 1.2 m -47.78 -25.37 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.698 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -84.4 -34.67 23.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.527 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -70.24 -41.82 73.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.909 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.456 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.18 -19.39 64.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.595 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -93.9 -4.86 49.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.586 HD23 ' CE2' ' A' ' 53' ' ' PHE . 25.9 mt -86.02 -24.19 26.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.5 p30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 179.99 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.417 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.5 p -100.5 107.12 46.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -74.96 118.06 5.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.597 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.3 p -143.63 -133.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.3 97.73 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.573 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.476 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.03 -30.97 6.55 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.5 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -115.49 -34.16 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.571 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -61.61 -12.1 14.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.627 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.45 -35.19 25.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.88 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -90.69 4.31 51.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 m -113.1 -11.6 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.571 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -101.65 -40.46 6.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.753 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.79 171.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -151.99 16.42 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.58 1.175 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 5.3 p -166.0 83.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.599 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -96.74 117.6 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.534 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -141.81 126.94 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.645 ' NH1' ' CZ2' ' A' ' 107' ' ' TRP . 7.4 mtm180 -79.55 40.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.588 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.4 t -60.36 175.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.0 ptmt -128.53 119.74 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.53 108.26 20.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.524 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 2.4 m -111.7 -37.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 4.0 t -112.28 164.58 13.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.1 mp0 -147.96 -172.49 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.661 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.7 ttpt -153.24 118.79 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.52 ' CB ' HD13 ' A' ' 43' ' ' ILE . 5.2 tt0 -79.77 93.0 5.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.71 ' N ' ' HZ3' ' A' ' 41' ' ' LYS . 35.5 m -106.88 91.43 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.414 ' HA ' ' HE3' ' A' ' 41' ' ' LYS . 1.2 m-20 -50.04 136.01 19.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.579 1.174 . . . . 0.0 109.237 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.469 ' OG ' HG23 ' A' ' 40' ' ' ILE . 4.7 t -116.9 36.47 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 48.17 -169.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.52 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.1 m-20 -84.86 164.77 18.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 0.739 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 2.6 t70 -97.21 -160.85 0.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.515 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -79.86 1.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -105.76 -3.04 22.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.05 -6.17 83.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.52 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 15.5 p-10 -85.47 154.41 59.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.516 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.97 129.65 12.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.777 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.469 HG23 ' OG ' ' A' ' 31' ' ' SER . 95.2 mt -71.69 -81.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.71 ' HZ3' ' N ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER 72.06 120.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.542 ' N ' ' HE2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -137.24 80.48 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 110.294 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -53.02 153.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.944 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.661 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.0 mm-40 -89.54 178.94 6.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 110.23 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.681 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.74 67.42 1.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.7 tt0 -62.65 71.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.615 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 2.8 pt -67.58 -175.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.6 OUTLIER -123.07 -1.07 8.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.514 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.2 125.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.434 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -133.87 -32.8 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.68 167.41 26.51 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.447 1.092 . . . . 0.0 109.197 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -146.61 68.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.607 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -37.8 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 9.6 tptp -127.27 65.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.2 -159.21 10.79 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.491 ' O ' ' CE ' ' A' ' 52' ' ' MET . 18.4 Cg_endo -75.06 178.65 6.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.612 1.849 . . . . 0.0 111.034 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.87 -33.87 34.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.52 -80.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.8 t70 153.43 171.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.501 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.5 mm -98.89 -72.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.574 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 73.7 -7.97 1.48 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.538 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -146.75 96.36 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.54 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -106.32 169.91 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.59 ' CE2' ' OE1' ' A' ' 44' ' ' GLN . 7.6 m-85 -122.55 157.96 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.055 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.681 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 9.0 t -175.12 -160.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.452 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -109.13 147.95 36.97 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.564 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.95 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.35 -168.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.952 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.9 p -70.6 51.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.482 ' CA ' ' HB3' ' A' ' 75' ' ' SER . . . 58.12 107.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.544 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -113.91 -38.52 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.544 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 11.2 m -124.14 12.84 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.553 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.74 -151.38 5.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.497 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 92.4 t -115.34 -0.42 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.482 ' HB3' ' CA ' ' A' ' 70' ' ' ALA . 18.6 p 34.61 88.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.638 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -110.48 134.93 51.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.496 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -125.4 1.84 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.6 t 71.16 -57.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.13 -8.76 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.448 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -119.88 -19.45 4.04 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.448 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -126.56 -94.03 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 0.781 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.555 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.07 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.2 mp0 -145.78 146.66 31.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.82 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.3 p90 -128.29 154.6 45.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.69 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.7 2.6 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.82 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.77 102.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.94 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.753 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -126.84 110.61 13.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 16' ' ' ASP . . . -142.44 -179.37 19.25 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.516 1.135 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -56.43 -22.85 34.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 0.733 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.525 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 76.36 177.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.543 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.7 tp10 -135.61 -42.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.593 ' O ' ' C ' ' A' ' 93' ' ' ASP . . . 165.78 126.12 0.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.593 ' C ' ' O ' ' A' ' 92' ' ' GLY . 1.4 m-20 -24.49 133.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.75 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.427 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 87.05 -6.09 83.96 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.558 1.161 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 92' ' ' GLY . 0.1 OUTLIER -174.19 143.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 0.801 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.543 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -148.85 -170.08 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 129.59 45.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.533 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.532 ' CD1' HG13 ' A' ' 86' ' ' ILE . 4.4 pt -140.71 141.83 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.527 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -139.86 163.41 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.461 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.553 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.8 OUTLIER -57.78 -43.34 85.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.615 1.197 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.421 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -64.47 -33.11 75.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 108.301 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.458 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 6.2 t0 -74.52 166.96 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.88 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -70.48 117.81 12.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.4 pt -164.88 134.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.09 156.98 31.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.588 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -74.96 11.1 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.047 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.645 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 11.8 t90 71.13 -59.77 0.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 108.048 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.504 ' O ' ' CG2' ' A' ' 109' ' ' THR . 25.6 t0 -68.64 51.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.693 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.1 p -159.09 -52.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.693 ' C ' ' O ' ' A' ' 109' ' ' THR . 43.1 mt 6.93 -106.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.65 -41.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.617 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.25 -60.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.614 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 44.8 m -53.13 -23.58 8.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.699 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -86.35 -36.57 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.328 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.475 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.2 mtmt -69.07 -40.04 78.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.223 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.614 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 1.1 pttt -63.14 -17.35 62.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.639 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.92 -14.26 24.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.576 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 48.0 mt -69.71 -29.7 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.1 p30 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.956 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.47 ' SG ' ' N ' ' A' ' 4' ' ' SER . 2.2 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.47 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 87.3 p -99.68 116.44 64.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.481 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.98 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.561 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.0 p -133.31 -133.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.561 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 39.26 84.31 0.18 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.569 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 1.83 7.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.591 1.837 . . . . 0.0 110.946 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.482 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.4 OUTLIER -136.05 -43.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.689 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -63.91 -7.63 8.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.279 -179.942 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.624 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.4 -34.75 28.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.89 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -90.45 4.88 49.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -113.71 -12.33 12.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 108.345 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.689 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -101.79 -38.94 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.723 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.52 169.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.84 13.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.557 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 13.6 p -166.04 91.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.688 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -101.03 117.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.56 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.7 OUTLIER -143.24 126.28 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.671 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.4 ttp180 -78.76 39.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.657 HG22 ' CE1' ' A' ' 84' ' ' TYR . 1.3 t -61.21 175.16 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.484 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 14.7 ptmt -129.16 118.86 23.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.579 ' O ' ' CG2' ' A' ' 78' ' ' VAL . . . -91.05 104.65 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.47 HG13 ' CG1' ' A' ' 78' ' ' VAL . 2.8 m -107.54 -34.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.239 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -117.49 167.22 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.954 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -150.78 -179.72 7.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.6 ttpt -146.63 111.07 5.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.455 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 10.5 tt0 -73.77 90.02 1.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.165 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.435 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 33.7 m -103.6 124.81 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.82 161.46 23.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.45 ' OG ' HG23 ' A' ' 40' ' ' ILE . 9.8 t -147.92 18.29 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 79.17 176.28 48.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 6.5 m-20 -84.61 162.6 19.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.8 t70 -93.56 -162.55 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.511 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -80.0 0.99 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -108.08 -1.07 20.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.38 -8.16 78.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.49 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.4 p-10 -79.3 153.64 76.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 130.58 13.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.45 HG23 ' OG ' ' A' ' 31' ' ' SER . 26.4 mt -64.12 -80.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.633 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.8 tppt? 72.27 125.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.676 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -129.81 64.13 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -35.55 141.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.676 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.5 mm-40 -85.22 -179.51 7.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.866 ' HH ' ' N ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.35 67.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.576 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.9 tt0 -62.53 70.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.636 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.5 pt -67.12 -168.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -128.81 0.92 5.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.513 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 55.12 121.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.445 HD12 ' NE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -128.74 -30.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.417 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 1.5 tttt -150.59 166.59 29.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.461 ' HG3' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.44 60.91 1.22 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.459 1.1 . . . . 0.0 111.063 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.567 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 20.7 m-85 -37.39 -82.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 14.7 tptt -120.71 68.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -125.61 -159.13 10.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD3' ' CG2' ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.03 -173.7 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.36 -33.95 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.22 -80.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.3 t70 152.78 169.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.495 HG23 ' CG ' ' A' ' 96' ' ' MET . 1.4 mm -103.33 -73.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.542 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 74.51 -8.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.609 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -148.74 94.03 2.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.384 1.053 . . . . 0.0 110.952 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.538 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.3 OUTLIER -99.78 170.2 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.716 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -121.38 148.63 44.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.072 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.551 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 8.2 t -163.41 -164.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.495 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.72 150.93 39.7 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.633 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -74.94 -158.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.48 -159.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.939 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.598 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 61.2 p -81.74 24.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.598 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 91.9 95.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.432 HG23 ' CB ' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -101.32 -38.03 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.565 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.1 OUTLIER -131.49 23.98 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 108.324 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.549 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -157.92 -157.24 8.33 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.497 ' CG1' HD22 ' A' ' 76' ' ' LEU . 88.0 t -116.35 0.46 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 0.8 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 74' ' ' VAL . 53.2 p 32.3 81.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 109.959 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.866 ' N ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -102.19 132.31 48.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.553 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -118.76 -7.24 10.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.579 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 4.1 t 71.38 -9.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -84.4 -6.55 85.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.513 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -134.18 -31.17 0.38 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.565 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -95.45 -100.89 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.485 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 165.98 -64.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.554 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -161.37 163.98 30.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.797 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.5 p90 -149.96 151.09 32.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.682 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.43 2.76 31.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.797 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.97 98.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.723 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -124.83 106.28 9.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.406 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -139.36 176.12 21.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.64 -29.74 7.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 81.69 179.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.588 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.3 tp10 -132.89 -37.59 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.0 -133.89 2.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -113.05 133.79 54.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.94 -9.4 60.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.609 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -164.92 143.97 6.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.588 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -140.97 -160.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.079 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.716 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -136.82 125.91 24.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.525 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.1 pt -140.28 146.89 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.565 ' CG2' ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -147.25 165.11 31.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.084 . . . . 0.0 110.38 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.549 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.5 OUTLIER -59.26 -49.13 79.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.462 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 3.3 t -60.33 -23.93 64.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 108.257 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.468 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.6 t0 -84.41 168.75 15.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.89 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -71.99 114.05 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.531 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.5 pt -163.15 132.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.506 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -152.75 157.72 33.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.372 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.581 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.6 Cg_endo -74.9 7.11 2.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.671 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 1.7 t90 74.91 -57.99 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.516 ' O ' ' CG2' ' A' ' 109' ' ' THR . 8.7 t70 -69.37 51.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.893 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.2 p -158.71 -56.82 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.404 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.676 ' C ' ' O ' ' A' ' 109' ' ' THR . 52.9 mt 12.29 -106.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.665 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 144.61 -41.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.605 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.41 -63.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.337 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 23.4 m -51.53 -25.96 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.669 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -83.51 -33.27 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.49 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -72.8 -42.64 63.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.483 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.08 -21.21 66.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.633 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.4 -13.83 27.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.968 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.567 HD23 ' CZ ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -73.42 -26.36 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.0 p -106.27 124.16 36.68 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.955 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.438 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.97 96.31 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.534 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.1 p -120.85 -132.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 37.86 84.2 0.19 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 3.36 5.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 113' ' ' THR . 0.4 OUTLIER -139.39 -44.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 110.244 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.6 mt-30 -64.12 -6.18 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.597 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.2 -37.45 23.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.918 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -87.84 -0.66 57.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.8 m -108.42 -12.34 15.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.296 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -100.13 -39.04 8.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.347 179.933 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.729 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.44 175.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -157.76 18.74 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.536 ' O ' HG11 ' A' ' 17' ' ' VAL . 12.1 p -167.36 78.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.576 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -92.82 120.11 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.531 HG13 ' CG2' ' A' ' 21' ' ' THR . 1.1 pt -145.08 124.21 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.609 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.5 tmm_? -77.46 41.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.64 HG22 ' CE1' ' A' ' 84' ' ' TYR . 1.4 t -63.54 173.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.419 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.514 ' HE2' ' CG1' ' A' ' 24' ' ' VAL . 17.3 ptmt -126.29 117.54 23.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.532 ' HA ' HG21 ' A' ' 47' ' ' ILE . . . -92.77 97.62 10.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.514 ' CG1' ' HE2' ' A' ' 22' ' ' LYS . 16.2 m -102.91 -36.64 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.479 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 11.1 t -112.35 157.56 20.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -142.33 -173.66 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.39 1.056 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.697 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.4 ttpt -154.87 123.87 6.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.486 ' CB ' HD13 ' A' ' 43' ' ' ILE . 17.5 tt0 -81.18 97.73 7.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 6.5 m -106.15 104.47 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.486 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -53.42 149.55 7.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.548 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.2 t -137.83 20.53 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.999 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.6 -177.16 22.73 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.482 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.5 m120 -83.86 165.89 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -95.53 -161.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -81.16 0.68 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -108.61 -1.12 19.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.33 -8.67 78.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.22 153.9 79.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.07 129.08 11.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.548 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 45.5 mt -68.89 -82.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.521 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.23 122.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.583 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.1 ptt180 -130.45 69.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.489 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -39.61 156.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.697 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 10.7 mm-40 -96.21 -177.69 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.905 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.91 67.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 11.0 tt0 -62.9 68.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.6 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.4 pt -67.75 -170.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.521 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -125.52 0.97 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.521 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.8 mm100 47.94 106.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 110.258 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -115.31 -34.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -141.43 158.69 43.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.429 ' HG3' ' CG2' ' A' ' 19' ' ' ILE . 26.5 ttm -141.26 70.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.062 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.578 ' CD1' HD21 ' A' ' 118' ' ' LEU . 22.6 m-85 -42.27 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 111.054 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.06 77.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.23 -161.8 11.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.462 ' HD3' ' CG2' ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.01 -170.49 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -94.39 -33.98 12.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.377 1.048 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.61 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -75.76 -82.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.61 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.0 t70 154.71 166.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.492 ' HA ' ' CA ' ' A' ' 94' ' ' GLY . 0.7 OUTLIER -106.06 -79.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.495 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 72.37 -7.28 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.537 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -144.68 93.97 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.563 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -101.33 169.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.654 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 11.3 m-85 -121.39 154.31 36.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.655 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 9.0 t -175.14 -168.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.406 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -87.95 154.32 52.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.534 ' O ' ' O ' ' A' ' 68' ' ' SER . 18.3 Cg_endo -75.13 -62.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.549 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -39.69 167.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.031 179.943 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.576 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 20.5 t -35.11 -36.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 156.99 94.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.549 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.8 OUTLIER -102.32 -35.66 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 99' ' ' THR . 29.4 m -131.36 20.2 4.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.588 1.18 . . . . 0.0 108.348 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.555 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -161.06 -154.25 7.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.443 1.09 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.509 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 90.6 t -118.78 -7.25 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.627 ' CA ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 34.37 84.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.905 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -104.1 131.69 51.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.56 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 3.1 p30 -104.69 -12.23 16.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 3.6 t 72.54 -43.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -55.76 -10.12 3.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -124.74 -25.36 1.57 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.486 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -105.83 -92.84 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.797 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.537 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 168.13 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.936 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.565 ' O ' ' O ' ' A' ' 106' ' ' PRO . 11.7 mp0 -151.16 149.63 29.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.792 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.0 p90 -127.5 154.78 44.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.695 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -85.29 4.11 36.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.792 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.18 103.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -129.07 110.18 11.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 89' ' ' LYS . . . -145.11 170.3 26.57 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.419 1.074 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -39.73 -35.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.344 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.534 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . 84.48 176.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.549 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.7 tp10 -135.24 6.71 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.31 -123.69 4.67 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.35 144.81 51.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.492 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.54 -4.59 59.52 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.537 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.38 146.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.34 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.563 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.46 -167.85 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.403 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -127.93 127.55 43.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.628 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.523 ' CD1' HG13 ' A' ' 86' ' ' ILE . 3.8 pt -140.25 134.76 35.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.581 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -134.94 168.74 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.384 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.555 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.7 OUTLIER -62.75 -44.45 96.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -64.32 -25.59 68.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 108.339 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.433 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.8 t0 -81.61 170.26 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.918 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -74.32 117.93 16.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.6 pt -164.5 134.03 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -154.69 157.13 32.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.601 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 10.82 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.51 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.5 t90 72.02 -59.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.495 ' O ' ' CG2' ' A' ' 109' ' ' THR . 46.3 t0 -69.32 52.39 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.7 p -158.97 -55.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.383 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.679 ' C ' ' O ' ' A' ' 109' ' ' THR . 44.5 mt 10.09 -106.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.26 -41.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.599 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.6 -63.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.464 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 43.7 m -51.79 -25.05 6.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.723 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -84.59 -33.09 23.44 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.5 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -72.96 -41.85 63.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.41 -20.8 65.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.608 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.47 -18.86 25.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.578 HD21 ' CD1' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -69.77 -28.38 65.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.407 1.067 . . . . 0.0 109.342 179.92 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 116' ' ' LYS . 1.4 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -120.88 123.95 27.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.958 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 121.53 6.62 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.532 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 8.2 p -142.8 -133.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.532 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 34.32 88.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 5.56 3.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.496 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -142.99 -46.18 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.496 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -59.38 -9.63 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 110.344 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.62 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.55 -33.44 28.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.855 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -90.96 6.59 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -115.84 -9.53 11.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 108.296 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.29 -38.97 6.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.649 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -51.97 171.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.392 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.44 14.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 10.8 p -166.67 84.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.556 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.56 121.11 46.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.506 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -145.86 125.36 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.676 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.2 ttp180 -77.54 38.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.653 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.0 t -60.23 178.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 13.9 ptmt -132.65 118.88 19.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -91.52 106.8 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.477 ' CG1' HG12 ' A' ' 78' ' ' VAL . 2.3 m -109.05 -35.31 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.502 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.95 168.05 10.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.454 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 2.0 mp0 -151.87 174.66 13.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.662 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.0 ttpt -139.18 111.8 7.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' CG ' HD13 ' A' ' 43' ' ' ILE . 2.2 tt0 -73.9 93.92 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.438 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 34.7 m -108.71 112.75 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.82 155.42 23.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.8 t -139.51 21.29 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.01 -178.87 36.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.482 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.2 m120 -84.75 162.47 19.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 0.784 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.5 t0 -93.79 -162.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.505 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.9 mp -80.34 0.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -107.88 -1.87 20.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.26 -8.74 77.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.7 p-10 -78.79 153.29 78.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 130.08 12.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.45 1.763 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.433 HG22 ' OG ' ' A' ' 31' ' ' SER . 67.0 mt -68.91 -82.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 20.9 ttmm 68.44 125.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.63 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -129.01 71.81 1.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.524 HD13 ' CG ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -43.5 143.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.662 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.6 mm-40 -86.14 -179.74 6.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.612 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.68 67.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.546 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 15.0 tt0 -61.64 71.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.653 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.7 pt -68.48 -171.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -126.04 1.14 7.25 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.497 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 53.76 115.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.455 HD13 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -126.5 -25.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.498 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -155.87 163.51 39.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.82 69.11 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 111.075 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.613 ' CE2' ' CD2' ' A' ' 118' ' ' LEU . 2.0 m-85 -38.86 -78.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.8 78.02 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.2 -155.68 7.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.105 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -174.15 1.83 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.443 1.759 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -93.37 -32.61 14.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -78.25 -79.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 5.0 t70 151.62 169.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.48 HG23 ' CG ' ' A' ' 96' ' ' MET . 1.6 mm -101.85 -73.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 73.66 -8.16 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.62 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -149.48 96.55 2.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 0.0 111.059 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.583 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.3 OUTLIER -102.12 169.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.925 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.714 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -119.27 153.33 35.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.612 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 10.1 t -169.89 -159.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.476 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -109.88 149.83 40.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.519 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.0 -159.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.797 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.429 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.7 OUTLIER 55.21 -171.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.943 179.961 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 p -70.42 53.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 60.99 100.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.508 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -110.6 -27.29 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.508 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 8.7 m -136.36 10.52 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.587 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.31 -152.4 5.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.122 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.497 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 51.4 t -114.22 -2.3 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.368 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.449 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 88.2 p 36.29 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.667 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -110.91 135.09 51.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.453 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -125.04 2.36 7.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.248 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.477 HG12 ' CG1' ' A' ' 24' ' ' VAL . 1.3 t 70.09 -55.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -56.58 -11.67 5.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.418 1.074 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.445 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -117.47 -25.5 3.15 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -116.43 -91.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 0.736 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 161.17 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.553 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -151.73 161.98 41.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.8 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.3 p90 -149.45 152.76 36.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.685 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.31 1.51 40.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.8 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 12.05 99.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.801 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -126.02 108.42 11.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.415 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -142.68 171.01 24.95 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 2.4 tttm -43.44 -32.68 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 0.812 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 84.03 179.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.573 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -131.93 -38.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.64 -133.14 2.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -113.51 133.72 55.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.13 -3.43 71.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.62 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -168.61 140.77 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 0.0 109.368 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.583 ' HE3' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -138.9 -159.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.714 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -140.23 125.42 18.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 64' ' ' TYR . 1.5 pt -139.94 146.87 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.516 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -142.42 165.38 27.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.587 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.1 pt? -58.69 -48.41 81.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.462 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -61.37 -30.17 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.259 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.479 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.1 t0 -75.05 165.37 25.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.409 1.068 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.855 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -69.95 114.53 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.516 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.0 pt -163.23 128.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -149.68 157.45 38.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.568 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 6.6 3.28 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.44 1.758 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.676 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 1.7 t90 75.33 -57.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.509 ' O ' ' CG2' ' A' ' 109' ' ' THR . 38.1 t0 -69.27 50.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.71 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.9 p -158.18 -54.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.71 ' C ' ' O ' ' A' ' 109' ' ' THR . 39.9 mt 5.02 -106.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.9 m 146.12 -41.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.592 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.37 -65.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.462 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.496 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 32.1 m -49.01 -22.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.711 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -88.08 -34.71 17.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.296 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.513 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -71.32 -39.7 71.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.498 ' O ' ' OD1' ' A' ' 119' ' ' ASN . 0.0 OUTLIER -63.61 -15.34 57.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.601 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -99.65 -9.0 23.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.613 ' CD2' ' CE2' ' A' ' 53' ' ' PHE . 3.4 mt -87.8 -27.44 22.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.498 ' OD1' ' O ' ' A' ' 116' ' ' LYS . 1.2 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.5 p -99.31 110.14 57.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 128.34 11.47 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.529 1.805 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.563 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.5 p -156.17 -133.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.7 OUTLIER 39.01 85.85 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.609 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.29 7.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.535 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.7 OUTLIER -136.13 -45.51 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -60.41 -8.07 2.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 110.308 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.631 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -81.99 -33.84 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.398 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.854 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -91.38 6.03 46.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -115.69 -8.96 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.439 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -104.88 -40.15 6.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.751 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.66 170.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.53 14.55 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 11.3 p -166.33 89.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.694 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -99.88 117.59 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.54 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.8 OUTLIER -142.2 126.15 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.3 tmm_? -77.82 38.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.629 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.0 t -60.95 167.47 2.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.538 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 16.2 ptmt -122.25 120.73 34.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.528 ' O ' ' CG2' ' A' ' 78' ' ' VAL . . . -91.28 102.91 15.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.464 HG11 ' CG1' ' A' ' 78' ' ' VAL . 1.9 m -104.77 -36.44 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.517 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.8 169.06 9.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.903 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.478 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -152.96 177.38 10.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.656 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -141.23 112.05 7.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.529 ' CG ' HD13 ' A' ' 43' ' ' ILE . 1.9 tt0 -75.0 91.66 2.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.441 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 32.0 m -107.5 129.94 60.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.29 157.29 32.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.445 ' OG ' HG23 ' A' ' 40' ' ' ILE . 3.2 t -140.52 20.82 2.37 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.434 1.084 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.408 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 78.42 177.33 48.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.426 1.078 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.468 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.2 m120 -83.98 162.97 20.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 0.818 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.51 -162.43 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -80.03 0.16 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.38 -0.47 20.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.53 -9.43 73.6 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.468 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.2 p-10 -77.08 152.35 82.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 129.76 12.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.426 1.751 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.445 HG23 ' OG ' ' A' ' 31' ' ' SER . 50.0 mt -65.43 -85.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.495 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 18.3 ttmm 72.98 129.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.719 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -131.8 67.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.529 HD13 ' CG ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -36.81 140.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.719 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.5 mm-40 -83.61 -178.8 7.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.906 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.53 70.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.5 tt0 -63.77 67.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.629 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.5 pt -66.47 -171.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.615 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -124.68 8.34 8.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.944 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.615 ' O ' ' O ' ' A' ' 48' ' ' LYS . 10.2 mm100 38.84 105.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.538 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -115.03 -34.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.082 . . . . 0.0 109.358 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -141.34 160.02 40.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.929 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.463 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -143.64 67.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.596 ' CD1' HD21 ' A' ' 118' ' ' LEU . 29.6 m-85 -38.82 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 14.8 tptt -122.64 74.91 1.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' HA2' HG21 ' A' ' 17' ' ' VAL . . . -124.2 -163.73 11.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.477 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -74.97 -165.36 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.434 1.755 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.9 -34.22 10.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.587 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -73.42 -80.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.587 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.8 t70 150.54 163.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.486 HD13 ' SD ' ' A' ' 96' ' ' MET . 1.1 mm -105.8 -80.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.483 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 76.66 -9.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.591 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -143.4 98.43 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.39 1.057 . . . . 0.0 111.056 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.555 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -103.65 170.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -123.28 150.15 43.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.568 HG23 ' CE2' ' A' ' 45' ' ' TYR . 8.8 t -163.9 -162.32 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.488 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -106.72 150.77 40.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.495 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.5 m 56.82 -171.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.41 55.79 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.482 ' CA ' ' HB3' ' A' ' 75' ' ' SER . . . 55.29 97.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.572 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -105.84 -45.82 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.572 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 7.6 m -114.87 15.55 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.605 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.57 -150.13 5.44 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 75' ' ' SER . 87.0 t -118.94 0.81 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.262 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 74' ' ' VAL . 4.8 p 31.47 84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.97 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.906 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -104.48 135.64 45.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.466 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -122.24 2.41 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 2.8 t 68.52 -55.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -57.6 -10.17 5.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.455 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.2 -16.97 5.06 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.34 -89.9 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 161.99 -67.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.907 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.546 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -164.79 166.18 20.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.792 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.5 p90 -152.08 151.71 31.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.683 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.77 2.5 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.792 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.66 99.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.751 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -123.53 105.99 10.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -140.53 160.1 26.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.56 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 9.1 tttt -36.66 -33.59 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 0.731 . . . . 0.0 109.304 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 87.86 -177.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.509 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 15.7 tp10 -134.22 -37.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.82 -136.33 3.56 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.65 132.76 54.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 76.79 1.33 71.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.591 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -169.9 131.93 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.555 ' HE3' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -131.71 -159.02 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.623 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -142.4 123.38 14.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.519 ' CD1' HG13 ' A' ' 86' ' ' ILE . 1.7 pt -137.65 147.26 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.556 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -144.72 167.15 23.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.404 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.605 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -60.22 -44.9 94.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -31.46 72.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 108.312 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -75.13 166.38 23.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.854 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -70.91 115.18 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.556 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.4 pt -162.53 133.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.531 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -151.64 156.82 34.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.603 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.1 10.03 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.409 1.742 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.418 ' CZ3' ' NH1' ' A' ' 20' ' ' ARG . 9.4 t90 73.12 -59.8 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.513 ' O ' HG22 ' A' ' 109' ' ' THR . 30.5 t70 -70.25 53.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 3.9 p -159.63 -56.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.676 ' C ' ' O ' ' A' ' 109' ' ' THR . 56.6 mt 9.77 -106.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.14 -42.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.585 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.75 -64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.379 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.535 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 1.3 m -50.17 -26.25 4.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.452 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.661 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -83.21 -35.2 25.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.487 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.34 -42.33 72.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.06 -19.63 64.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.619 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.54 -12.61 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.596 HD21 ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -76.82 -23.1 52.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.3 p30 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.074 . . . . 0.0 109.336 179.968 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 36.0 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.8 p -65.61 110.04 3.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.5 Cg_endo -74.96 98.87 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.538 1.81 . . . . 0.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.645 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.2 p -125.66 -132.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.645 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER 43.32 82.02 0.24 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.414 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -74.99 -1.72 11.59 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.493 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.6 OUTLIER -135.01 -44.52 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.685 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -60.58 -8.02 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.361 179.96 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.644 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -81.86 -34.25 30.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.866 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -91.82 5.58 49.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -115.02 -8.8 12.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 108.265 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.685 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -106.62 -39.94 5.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.369 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.74 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.05 171.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.22 15.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 11.1 p -166.0 88.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.647 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.76 117.51 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.909 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.536 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -143.48 125.12 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.679 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.5 mtp180 -77.5 40.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.616 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.2 t -60.91 176.0 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.454 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 13.7 ptmt -129.41 120.47 25.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.574 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.96 107.01 18.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.521 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 2.5 m -110.06 -36.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.509 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -112.48 170.02 8.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.043 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -152.32 -175.67 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.639 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.1 ttpt -149.82 114.51 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.533 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 4.7 tt0 -73.45 92.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.429 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 34.4 m -107.1 111.09 34.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.43 150.96 47.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.209 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' A' ' 31' ' ' SER . 2.9 t -134.06 28.73 3.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.9 -176.98 28.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.6 m120 -85.07 165.69 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.3 t70 -96.87 -162.33 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.4 mp -80.23 -0.12 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -107.87 -0.94 21.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.63 -7.96 79.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 6.7 p-10 -78.4 152.07 78.29 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.0 128.46 11.5 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.612 1.849 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.447 HG23 ' OG ' ' A' ' 31' ' ' SER . 39.0 mt -66.58 -89.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.533 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 19.7 ttmm 73.01 126.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.661 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -133.83 72.62 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -39.75 148.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.661 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 9.0 mm-40 -87.16 -176.85 5.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.663 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.89 68.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.509 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 16.2 tt0 -62.65 70.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.289 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.616 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.2 pt -65.97 -172.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -126.23 1.4 7.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.527 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.33 124.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.428 HG21 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -131.84 -30.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.515 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -153.55 168.22 26.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.221 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' PHE . 1.3 ptt? -145.65 64.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -35.88 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.505 1.128 . . . . 0.0 110.928 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HB3' HG21 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -128.08 66.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.44 -157.3 9.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.421 ' HD3' ' CG2' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.99 -177.06 3.2 Favored 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.562 1.822 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -90.08 -32.54 16.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.47 -79.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 151.49 170.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.482 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.2 mm -102.35 -71.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.587 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 73.53 -6.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.605 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -148.79 100.18 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.511 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -107.44 172.69 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.622 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 11.3 m-85 -119.57 156.39 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.663 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 7.1 t -176.67 -167.04 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.432 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.494 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -89.75 146.96 36.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' A' ' 68' ' ' SER . 18.3 Cg_endo -74.91 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.567 ' O ' ' O ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -47.55 -171.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.006 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.3 p -66.94 56.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 109.96 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 58.2 92.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.547 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.8 OUTLIER -107.38 -26.91 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.557 ' O ' ' HA ' ' A' ' 99' ' ' THR . 12.8 m -134.43 12.21 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.502 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -148.38 -152.58 5.73 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.515 1.134 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.527 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 73.3 t -113.09 -10.7 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.457 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 14.1 p 43.66 83.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.629 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -108.29 133.8 52.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.231 -179.937 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.506 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -120.82 -0.17 10.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.556 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.3 t 72.22 -56.07 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.95 -9.81 1.47 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.536 1.147 . . . . 0.0 111.057 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.48 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -119.21 -28.41 2.0 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.48 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -114.89 -94.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.366 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.556 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.57 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.581 ' O ' ' O ' ' A' ' 106' ' ' PRO . 2.0 mp0 -146.48 153.84 40.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.808 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.4 p90 -137.22 153.03 50.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.693 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.9 3.4 30.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.808 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.06 103.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.74 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -128.92 108.72 10.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -144.51 176.3 23.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.7 -38.39 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 84.27 175.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.527 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.6 tp10 -134.88 7.69 3.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.22 -121.85 4.23 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.443 1.09 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.06 144.93 51.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.79 -3.8 59.29 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.501 1.125 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.605 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.81 144.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.359 179.908 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.546 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -148.08 -169.1 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -127.44 130.11 48.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.622 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.537 ' CD1' HG13 ' A' ' 86' ' ' ILE . 12.0 pt -142.54 139.14 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.557 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -139.24 161.99 36.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 110.407 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.502 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.2 pt? -55.62 -44.86 77.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 1.6 t -63.67 -33.72 76.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 108.241 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.422 ' O ' HG12 ' A' ' 104' ' ' ILE . 3.6 t0 -73.15 166.34 23.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.866 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -70.41 117.41 11.92 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 111.002 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.544 ' CD1' ' O ' ' A' ' 99' ' ' THR . 4.7 pt -163.98 136.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.517 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -157.54 156.72 29.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.594 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -74.99 11.39 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.562 1.822 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.679 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.5 t90 71.15 -60.11 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 107.952 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.504 ' O ' HG22 ' A' ' 109' ' ' THR . 21.1 t0 -69.21 52.1 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.7 p -158.72 -56.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.682 ' C ' ' O ' ' A' ' 109' ' ' THR . 47.5 mt 9.79 -106.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 146.61 -42.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.582 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.77 -65.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.41 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 23.6 m -48.93 -24.45 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.714 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -86.26 -35.12 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.483 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.56 -41.19 72.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.498 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.02 -19.02 63.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.225 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.55 -12.87 28.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.477 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 34.1 mt -70.7 -28.5 64.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.2 p30 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.24 -179.963 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 37.0 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.3 p -90.61 112.1 51.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 126.71 10.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.527 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.6 p -155.19 -133.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.116 . . . . 0.0 109.366 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.66 88.17 0.1 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.621 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.455 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -74.97 -25.77 11.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.589 HE21 ' CB ' ' A' ' 117' ' ' SER . 1.3 tt0 -117.52 -36.08 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 3.0 mt-30 -64.82 -7.95 13.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.605 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -81.68 -36.41 28.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.869 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -87.78 3.39 48.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -113.68 -14.71 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.24 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.08 -36.89 10.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.641 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.83 173.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.85 13.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.234 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.542 ' CG2' ' SD ' ' A' ' 96' ' ' MET . 7.2 p -166.29 86.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.591 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -98.93 118.77 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.499 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.1 pt -143.58 126.71 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.656 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 10.9 ttp85 -78.58 40.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.603 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.2 t -61.86 173.4 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.8 ptmt -125.69 120.51 30.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.95 105.05 16.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.532 HG11 ' CB ' ' A' ' 78' ' ' VAL . 3.3 m -109.38 -39.42 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.501 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -110.0 161.39 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -148.35 -174.06 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.634 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.5 ttpt -154.58 112.47 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.4 tt0 -74.69 91.88 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.6 m -100.06 82.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.46 141.75 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 31' ' ' SER . 2.0 t -127.13 30.91 5.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.1 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.77 -171.07 7.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.2 m-20 -83.79 164.8 19.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -95.31 -161.89 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.516 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.56 0.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -107.6 -1.29 21.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.1 -8.89 76.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.477 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -78.4 153.4 79.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.588 0.816 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.93 128.99 11.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.433 HG21 ' N ' ' A' ' 41' ' ' LYS . 34.4 mt -72.1 -94.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 21.7 ttmt 72.46 122.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.631 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -126.45 68.7 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -38.98 144.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.634 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.5 mm-40 -86.94 177.65 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.44 67.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.501 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.0 tt0 -63.06 68.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.603 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.3 pt -63.82 -174.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.526 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -124.64 1.05 8.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.526 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 53.56 119.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.951 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.477 HD12 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -129.16 -29.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -180.0 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.75 163.0 40.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.7 ptm -144.98 68.5 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CZ ' HD12 ' A' ' 118' ' ' LEU . 14.2 m-85 -39.87 -78.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -124.47 71.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.436 ' HA2' HG21 ' A' ' 17' ' ' VAL . . . -128.93 -161.14 10.53 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -176.45 2.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.06 -33.57 15.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.572 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -75.89 -79.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.6 t70 149.41 169.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.492 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 1.1 mm -102.9 -73.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.93 -7.67 1.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.327 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.609 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.6 m-85 -147.47 95.38 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.519 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.3 OUTLIER -105.9 167.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.631 ' CE1' ' OE1' ' A' ' 44' ' ' GLN . 5.4 m-85 -118.07 150.11 39.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.576 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.3 t -164.2 -168.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.449 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.502 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.91 148.36 36.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.554 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.04 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.438 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 1.6 m 56.95 -169.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.035 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.7 p -69.22 54.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.456 ' HB3' ' CA ' ' A' ' 74' ' ' VAL . . . 54.52 92.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.575 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -99.78 -41.43 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.376 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.575 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 7.9 m -121.19 13.33 11.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 108.305 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.549 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.17 -153.53 6.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.48 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 75.0 t -115.95 -2.67 10.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 74' ' ' VAL . 83.5 p 35.24 84.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.626 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.41 135.86 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.488 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -123.27 -0.04 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.357 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.45 -56.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.55 -11.7 1.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.463 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.13 -27.74 2.38 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -114.3 -93.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.539 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.14 -82.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.553 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.6 OUTLIER -148.66 156.09 41.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.938 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.802 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.1 p90 -141.07 152.98 45.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.678 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.34 1.03 39.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.802 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.46 100.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.787 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -125.77 106.77 9.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.463 ' C ' ' N ' ' A' ' 90' ' ' ALA . . . -141.76 165.1 26.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 3.3 tttm -39.67 -29.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 82.74 -179.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.531 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 15.1 tp10 -134.98 -37.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 171.44 -144.99 8.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.597 1.186 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.86 133.4 48.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.774 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 83.17 -6.59 70.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.075 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.609 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -167.72 143.91 4.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.247 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.542 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -139.93 -158.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.04 124.84 21.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.502 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.8 pt -139.86 141.27 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.55 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -141.36 164.7 29.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.428 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.549 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.6 OUTLIER -58.64 -43.45 89.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 1.7 t -63.73 -32.99 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 108.383 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -75.73 166.9 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.869 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.07 116.76 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.55 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.2 pt -163.25 133.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.502 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.7 156.71 31.01 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.682 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.06 11.68 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.406 1.74 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.656 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 4.6 t90 71.9 -60.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 108.01 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.491 ' O ' HG22 ' A' ' 109' ' ' THR . 12.4 t0 -70.37 51.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.682 ' OG1' ' HD2' ' A' ' 106' ' ' PRO . 2.1 p -158.59 -55.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.668 ' C ' ' O ' ' A' ' 109' ' ' THR . 60.7 mt 11.77 -105.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.81 -42.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.584 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.09 -63.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.51 ' HA ' ' CG ' ' A' ' 116' ' ' LYS . 1.4 m -54.45 -24.01 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.665 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -80.43 -36.34 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.955 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.502 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.3 OUTLIER -68.74 -47.3 66.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.582 ' HE3' ' NE2' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -63.27 -10.86 17.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.589 ' CB ' HE21 ' A' ' 9' ' ' GLN . 0.2 OUTLIER -108.05 -14.12 14.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.586 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -96.31 -13.85 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 101' ' ' CYS . 1.5 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.1 p -128.88 107.95 18.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.957 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 121.75 6.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.556 1.819 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' ' 7' ' ' HIS . 9.9 p -149.92 -134.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 31.29 92.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.536 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.06 -28.55 8.98 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.572 1.827 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.3 OUTLIER -107.03 -33.29 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.514 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -72.98 -4.91 35.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.606 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.95 -34.44 24.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.905 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.5 m-85 -91.3 -5.19 55.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -102.27 -10.56 19.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 108.342 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -103.64 -41.24 6.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.769 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.26 170.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.72 14.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 9.0 p -166.27 90.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.634 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.08 118.86 48.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.534 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.53 123.87 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.677 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.2 mtp180 -76.24 40.12 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.618 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.8 t -62.63 172.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 14.5 ptmt -126.41 120.58 30.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -92.16 107.08 18.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.48 HG13 ' CG1' ' A' ' 78' ' ' VAL . 2.6 m -110.18 -37.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.525 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -114.11 164.95 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -148.5 -175.27 4.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.237 -179.922 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.7 ttpt -152.22 112.1 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.489 ' CG ' HD13 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -75.02 88.74 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 15.8 m -95.24 79.62 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -44.04 140.63 1.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.521 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.7 t -126.84 31.25 5.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.72 -169.58 4.25 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.542 1.151 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.498 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.3 m-80 -84.07 163.67 19.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 0.774 . . . . 0.0 109.358 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.2 t70 -94.44 -161.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.528 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.5 mp -80.69 1.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.23 -1.64 20.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 111.061 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.84 -8.72 76.88 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.498 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.3 p-10 -79.56 153.32 76.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.41 0.712 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.02 130.47 13.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 41' ' ' LYS . 35.8 mt -75.01 -93.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 23.2 ttmt 71.2 122.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.637 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.6 ptt180 -128.0 74.38 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.529 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -44.63 142.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.649 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.4 mm-40 -85.38 -178.65 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.627 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.18 67.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.525 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.1 tt0 -62.28 68.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.328 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.618 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.3 pt -67.07 -175.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.493 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -119.63 -2.71 10.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.52 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.4 mm100 51.75 108.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.441 HG12 ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -116.24 -35.28 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.515 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -144.81 161.12 40.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -140.35 67.57 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.928 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.62 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -35.32 -80.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -127.35 72.33 1.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.24 -163.12 12.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.485 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.03 -172.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -94.43 -33.3 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.655 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.03 -79.17 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.655 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.9 t70 148.35 164.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.5 ' HA ' ' CA ' ' A' ' 94' ' ' GLY . 0.8 OUTLIER -106.18 -78.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.512 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.0 OUTLIER 72.67 -7.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.343 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.562 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -144.29 94.12 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.549 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -99.22 171.37 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.659 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.17 155.49 38.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.627 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.5 t -170.94 -161.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.401 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.519 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -108.93 151.5 41.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.529 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -161.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.06 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.3 m 58.15 -172.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.949 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.7 p -68.82 56.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.956 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.493 ' CA ' ' HB3' ' A' ' 75' ' ' SER . . . 54.99 104.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.553 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -112.25 -44.04 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.927 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.623 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 9.6 m -116.88 12.33 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.514 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -151.76 -156.64 7.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 75' ' ' SER . 96.2 t -111.49 2.04 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.359 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.493 ' HB3' ' CA ' ' A' ' 70' ' ' ALA . 9.7 p 31.57 88.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.683 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -109.77 130.57 55.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.915 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.492 ' OD2' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -122.26 2.53 9.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.5 t 70.82 -55.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.94 -12.34 1.72 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.477 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.65 -30.85 1.58 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.52 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -110.66 -95.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 0.728 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.539 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.45 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -149.08 159.27 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.801 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.4 p90 -146.37 153.35 40.41 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.689 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.58 3.5 36.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.801 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.54 101.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.769 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -128.05 108.9 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.422 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -143.28 -178.05 18.77 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -48.91 -38.74 23.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 0.716 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 84.03 173.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.535 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 6.6 tp10 -130.16 1.31 4.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.73 -119.66 2.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.65 142.0 49.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.5 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 80.58 -4.39 69.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.044 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.84 140.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.549 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -144.16 -170.48 3.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -127.56 129.71 47.8 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.528 1.143 . . . . 0.0 109.574 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.528 ' CD1' HG13 ' A' ' 86' ' ' ILE . 6.3 pt -141.31 134.02 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 48.6 p -130.26 164.12 25.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.623 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -64.22 -24.37 67.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -80.08 -30.53 39.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -78.33 171.18 15.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.905 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -71.56 120.58 17.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.97 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.519 ' CD1' ' O ' ' A' ' 99' ' ' THR . 5.5 pt -165.68 138.9 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.5 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -158.59 157.89 29.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.582 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.98 9.04 2.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.526 1.803 . . . . 0.0 110.978 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.677 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.5 t90 73.36 -58.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 108.021 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.516 ' O ' ' CG2' ' A' ' 109' ' ' THR . 8.1 t70 -69.56 51.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.678 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.4 p -159.19 -55.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.403 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.678 ' C ' ' O ' ' A' ' 109' ' ' THR . 64.0 mt 11.55 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 147.36 -40.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.95 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.607 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.21 -66.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.393 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.495 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 1.3 m -49.59 -26.63 3.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.718 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -82.25 -29.28 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.472 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -77.13 -42.86 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.469 ' O ' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -61.54 -21.66 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.683 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.34 -10.22 47.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.992 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.593 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 49.0 mt -75.26 -27.22 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.387 1.054 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.998 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.429 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.6 p -147.44 122.33 5.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.061 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.441 ' CB ' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.06 78.59 2.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 8.1 p -90.05 -132.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.522 ' CB ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER 33.08 91.98 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.557 -179.94 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HB2' ' NE2' ' A' ' 114' ' ' GLN . 18.4 Cg_endo -75.04 6.53 3.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.483 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -141.74 -43.85 0.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.522 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.53 -7.23 9.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.613 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.13 -32.44 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.9 m-85 -91.06 -5.43 55.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.63 -8.79 20.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 108.376 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.442 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -104.08 -41.64 5.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.957 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.771 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.35 169.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.29 11.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 7.7 p -165.89 93.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.652 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.72 119.11 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.602 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.6 OUTLIER -142.14 124.76 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.613 ' HD3' ' CE3' ' A' ' 107' ' ' TRP . 1.2 tmm_? -79.19 40.98 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.632 ' CG2' HD11 ' A' ' 47' ' ' ILE . 1.3 t -64.5 173.66 2.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.49 ' N ' ' HG1' ' A' ' 21' ' ' THR . 17.0 ptmt -126.76 119.62 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.579 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -91.69 106.41 18.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.371 1.045 . . . . 0.0 109.233 -179.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 1.9 m -108.92 -35.09 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -116.32 166.37 12.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.494 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.9 mp0 -151.78 178.47 9.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.1 ttpt -143.44 112.63 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.539 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.8 tt0 -74.24 96.05 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.43 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 33.3 m -112.56 113.66 44.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.428 ' OD2' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -62.73 155.43 26.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 31' ' ' SER . 2.8 t -138.22 23.73 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' ILE . . . 74.14 -179.57 42.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.14 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.1 m-20 -84.39 164.72 18.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.9 t0 -97.09 -162.26 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.521 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -79.82 -0.51 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.38 -0.91 22.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.34 -8.77 75.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.3 p-10 -78.21 153.47 79.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 129.04 11.99 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.552 1.817 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.442 HG23 ' OG ' ' A' ' 31' ' ' SER . 49.3 mt -65.49 -85.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HG2' ' HG3' ' A' ' 67' ' ' PRO . 19.8 ttmm 73.04 125.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.616 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -130.02 65.73 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.539 HD13 ' HA ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -36.9 144.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.0 mm-40 -86.03 -179.58 6.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.784 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.29 68.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.092 179.916 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.9 tt0 -63.81 67.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.258 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.632 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.5 pt -64.83 -170.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.7 ttpt -126.78 0.39 6.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.562 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 50.17 114.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.938 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.472 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -123.06 -31.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.946 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -146.19 166.01 27.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.251 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.525 ' O ' ' CE ' ' A' ' 52' ' ' MET . 1.1 ttp -145.53 72.15 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.585 ' CZ ' HD12 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -43.27 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -127.16 74.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.213 -179.955 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -130.62 -164.82 11.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.429 ' O ' ' SD ' ' A' ' 52' ' ' MET . 18.2 Cg_endo -74.94 177.62 8.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.29 -35.85 63.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.94 -87.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.0 t70 151.68 166.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.644 HG13 ' SD ' ' A' ' 96' ' ' MET . 0.4 OUTLIER -119.99 76.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.469 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -70.33 -5.52 28.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.537 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 6.7 m-85 -135.01 92.07 2.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.409 1.068 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.572 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 0.4 OUTLIER -96.13 167.76 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.58 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 20.0 m-85 -117.87 145.86 44.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.553 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 8.7 t -162.72 -170.8 2.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 72' ' ' CYS . . . -101.96 149.34 36.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.521 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.98 -158.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.46 -160.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.532 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 34.9 t -81.45 30.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.971 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 85.9 90.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -98.68 -40.95 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 99' ' ' THR . 94.7 m -125.23 18.56 8.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.319 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.525 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -156.6 -159.39 9.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.5 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 55.6 t -111.87 -1.34 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 33.11 87.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.784 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -106.11 137.32 44.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.49 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -123.67 0.22 8.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.544 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 2.7 t 69.45 -57.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -48.51 -15.46 0.47 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.478 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -114.32 -31.66 2.16 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -105.83 -93.31 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 163.0 -60.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.509 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -168.09 167.47 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.794 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.0 p90 -153.36 152.87 31.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.689 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.83 2.1 39.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.794 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 11.31 100.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 0.0 109.288 -179.917 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.771 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -128.38 110.65 12.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.428 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -145.08 170.74 26.43 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.15 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -41.89 -30.89 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 0.758 . . . . 0.0 109.239 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 85.68 -179.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.524 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.5 tp10 -139.06 -1.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 136.35 -125.0 3.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -126.52 146.96 49.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 72.24 -1.37 34.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.541 ' HA ' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -178.39 137.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.644 ' SD ' HG13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -132.98 -160.13 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.421 ' CG ' ' OE1' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -133.27 124.11 26.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.569 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.537 ' CD1' HG13 ' A' ' 86' ' ' ILE . 1.7 pt -139.35 133.42 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.555 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 1.8 p -133.29 169.02 17.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.525 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -66.24 -26.06 67.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.67 -22.69 37.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.415 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.9 t0 -87.24 169.63 12.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.231 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.875 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -70.48 118.89 13.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.55 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.6 pt -165.66 134.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.62 157.16 32.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.969 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.58 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.05 8.27 2.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.804 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.613 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.8 t90 74.31 -59.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 0.0 107.954 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.508 ' O ' ' CG2' ' A' ' 109' ' ' THR . 23.9 t70 -68.29 52.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.222 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 8.2 p -158.83 -53.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.708 ' C ' ' O ' ' A' ' 109' ' ' THR . 58.1 mt 6.25 -107.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.27 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 110.0 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.61 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.15 -65.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 110.412 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 3.4 m -48.41 -26.12 1.94 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.522 1.138 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.679 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.2 OUTLIER -84.55 -32.32 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.466 ' HE3' ' HB2' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -72.69 -40.73 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.429 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -63.38 -19.69 64.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.657 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.65 -5.04 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 109.941 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.585 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 46.4 mt -80.35 -27.08 38.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 16.3 p30 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.965 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 100' ' ' LEU . 1.7 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.5 p -129.61 107.98 17.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 130.05 12.88 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.423 1.749 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.563 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 9.8 p -154.51 -134.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.563 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 33.3 88.52 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.684 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 4.02 5.08 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.447 1.762 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.519 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -141.29 -44.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 2.9 mt-30 -63.64 -5.74 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.628 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.09 -36.55 24.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.873 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -87.43 -6.29 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.15 -17.76 16.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -93.47 -41.84 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.701 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.94 172.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -152.08 16.03 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 3.1 p -166.39 88.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.558 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -99.76 117.11 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.574 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -141.46 125.52 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.568 ' HD3' ' CE3' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -77.09 40.18 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.662 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.1 t -62.98 163.88 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.1 ptmt -119.33 120.42 36.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.577 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -92.85 104.91 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.508 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 2.6 m -107.76 -37.11 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -114.14 165.25 12.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.0 mp0 -148.58 -176.08 5.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.667 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.9 ttpt -151.86 114.09 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.499 ' CG ' ' HE3' ' A' ' 41' ' ' LYS . 8.7 tt0 -74.89 91.24 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.9 m -100.67 112.2 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.248 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.544 ' N ' ' HZ1' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -56.83 152.88 11.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.518 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.3 t -140.65 19.32 2.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.573 1.171 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.23 -178.65 37.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m-20 -83.98 163.93 19.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -94.98 -160.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.522 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -81.85 0.69 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.99 0.1 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.03 -8.58 75.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.4 p-10 -78.89 155.52 77.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 130.01 12.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.518 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 50.2 mt -67.37 -79.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.599 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 13.1 tppt? 68.29 125.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.628 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.81 65.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -36.83 146.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.677 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 9.1 mm-40 -89.86 -179.59 5.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.539 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.51 69.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.0 tt0 -63.78 68.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.658 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.6 pt -65.45 -170.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.575 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.3 ttpt -127.51 4.27 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.575 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER 49.38 114.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.965 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -124.44 -33.44 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.2 tttt -144.76 162.85 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.7 ptm -146.89 63.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.577 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 51.9 m-85 -40.84 -70.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' VAL . 47.2 tptt -130.31 161.35 31.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.465 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 128.08 -135.82 8.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.487 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.1 Cg_endo -75.01 -166.9 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.85 -31.25 7.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.8 -80.19 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.3 t70 158.86 169.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.514 HG13 ' CD1' ' A' ' 19' ' ' ILE . 1.4 mm -100.07 -72.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.599 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.71 -10.38 1.19 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -145.4 97.11 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.539 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -106.11 169.46 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.677 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.6 m-85 -123.01 154.89 37.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.539 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 8.6 t -168.59 -161.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.492 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -106.79 152.75 40.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.599 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo -75.06 -159.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.768 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.66 -161.17 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.979 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.555 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 35.3 p -81.15 28.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 88.42 97.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.445 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -108.24 -38.06 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.516 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 33.4 m -124.91 19.17 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.336 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.526 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -159.19 -158.43 9.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' A' ' 75' ' ' SER . 82.6 t -110.64 1.12 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER 30.76 84.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.955 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.612 ' CD1' ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.06 135.01 46.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.494 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -123.79 0.17 8.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.567 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.5 t 71.53 -53.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.62 -11.72 2.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.442 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.82 -29.7 1.79 Allowed Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -112.65 -94.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.567 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.18 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.562 ' O ' ' O ' ' A' ' 106' ' ' PRO . 3.0 mp0 -146.78 158.76 43.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.781 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 3.2 p90 -144.85 151.4 38.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.683 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.15 3.38 27.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.392 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.781 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.61 100.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.73 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -129.32 104.24 7.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -159.37 168.19 35.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -38.55 97.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.479 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . . . -64.5 174.38 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.229 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.4 tp10 -126.11 12.78 7.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.01 -116.88 2.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.91 139.34 39.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 80.79 1.58 89.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -176.43 145.43 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 0.8 . . . . 0.0 109.371 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.539 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -151.98 -170.44 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 -179.973 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.07 131.74 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.61 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.514 ' CD1' HG13 ' A' ' 86' ' ' ILE . 6.0 pt -141.82 149.36 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.56 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 2.0 p -147.07 162.96 37.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.526 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -62.66 -28.28 69.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -30.98 57.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.13 171.14 15.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.873 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.75 118.74 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.56 ' CD1' ' O ' ' A' ' 99' ' ' THR . 5.9 pt -164.88 134.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.26 157.63 31.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.562 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.6 Cg_endo -74.92 6.48 3.33 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.568 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 3.4 t90 75.92 -57.79 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.512 ' O ' ' CG2' ' A' ' 109' ' ' THR . 17.0 t70 -68.61 50.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.693 ' O ' ' C ' ' A' ' 110' ' ' LEU . 15.3 p -158.28 -55.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.693 ' C ' ' O ' ' A' ' 109' ' ' THR . 52.2 mt 9.02 -106.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.49 -43.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.565 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 162.16 -63.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.519 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 25.5 m -51.63 -26.82 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.425 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.694 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -81.9 -34.28 30.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.487 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -71.03 -43.24 68.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.48 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -62.3 -19.95 63.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.627 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.96 -7.62 39.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.577 HD23 ' CZ ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -81.18 -24.77 37.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.7 p30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -103.59 107.47 56.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 119.3 5.6 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.811 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.527 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.4 p -144.48 -133.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.46 86.42 0.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.626 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.459 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.6 Cg_endo -74.93 -0.66 10.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 5.8 tp-100 -137.09 -43.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.0 mt-30 -63.94 -5.61 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.593 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -84.2 -35.25 23.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.918 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -89.02 -0.22 57.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.0 -15.94 14.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.05 -38.19 10.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.743 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.05 172.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.09 15.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 12.2 p -166.74 88.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.658 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -100.32 117.35 45.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.544 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -143.12 127.43 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.589 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 0.5 OUTLIER -78.0 42.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.651 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.6 t -66.2 163.1 18.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.482 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 14.6 ptmt -118.51 122.41 42.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.12 104.02 16.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.471 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 3.5 m -107.27 -35.92 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.525 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -114.51 161.5 17.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -146.01 -172.52 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.943 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.7 ttpt -156.85 119.75 4.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.534 ' CB ' HD13 ' A' ' 43' ' ' ILE . 3.4 tt0 -79.84 94.76 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.494 ' CG2' ' HD3' ' A' ' 42' ' ' ARG . 10.7 m -102.79 84.64 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.72 150.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.496 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.2 t -136.89 23.22 3.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.23 -170.79 25.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.1 m-80 -84.14 164.0 19.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.769 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.6 t70 -95.28 -161.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.513 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.47 0.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.46 -1.58 21.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.76 -8.83 76.37 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.49 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.4 p-10 -79.63 154.04 76.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.98 130.0 12.88 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.455 HG23 ' HB3' ' A' ' 31' ' ' SER . 61.0 mt -72.82 -90.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 18.7 ttmt 66.72 123.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.601 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -131.06 70.48 1.46 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.534 HD13 ' CB ' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -37.79 154.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.644 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mm-40 -94.72 -179.81 5.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.638 ' CE2' HG23 ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.25 68.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.525 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.2 tt0 -63.13 68.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.629 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -67.58 -174.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.598 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -122.39 6.92 9.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.215 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.9 mm100 41.49 106.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.482 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -114.71 -35.69 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.443 ' O ' ' HB ' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -141.07 159.59 41.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.405 ' HA ' ' CB ' ' A' ' 19' ' ' ILE . 9.8 ptm -142.82 65.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 20.3 m-85 -37.63 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HB3' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -121.87 76.55 1.29 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.39 -165.95 12.0 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.513 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.97 -171.1 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.759 . . . . 0.0 111.052 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -95.1 -33.41 12.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -72.41 -77.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.617 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.5 t70 145.35 164.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.513 HD12 ' CG ' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -105.31 -79.26 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.493 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 73.79 -10.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.539 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -139.86 94.73 2.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.569 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -102.66 168.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.63 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.9 m-85 -122.2 158.82 28.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.638 HG23 ' CE2' ' A' ' 45' ' ' TYR . 9.9 t -174.48 -162.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.467 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.475 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -102.09 153.43 38.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.519 ' HD3' ' O ' ' A' ' 41' ' ' LYS . 18.1 Cg_endo -75.09 -175.77 2.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.432 ' O ' ' OG ' ' A' ' 75' ' ' SER . 0.6 OUTLIER 70.3 -166.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.021 -179.933 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.672 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 8.1 p -59.85 -33.88 72.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.672 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 149.68 111.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.371 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.542 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -117.4 -39.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.542 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 13.3 m -126.01 16.4 7.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 108.289 179.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.558 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -157.17 -154.72 7.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.082 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' A' ' 75' ' ' SER . 90.6 t -115.68 -1.79 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.512 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 32.75 86.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.031 179.959 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.672 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -104.16 130.61 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.933 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.568 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -117.09 -4.41 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.586 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.3 t 74.74 -50.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 179.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.28 -13.78 1.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.549 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.02 -35.79 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.549 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -103.61 -98.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.358 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.586 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.78 -81.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.555 ' O ' ' O ' ' A' ' 106' ' ' PRO . 7.2 mp0 -147.56 153.26 39.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.418 1.074 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.811 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 3.2 p90 -137.98 153.22 49.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.702 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.16 4.77 25.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.811 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 8.86 102.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.743 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -127.94 108.09 10.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.42 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -142.16 174.37 23.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.63 -37.39 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 83.86 175.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.544 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.0 tp10 -133.9 4.62 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.83 -122.86 3.87 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.494 1.121 . . . . 0.0 111.062 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.02 143.45 50.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 0.806 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.483 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.22 -3.38 62.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.95 143.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 0.798 . . . . 0.0 109.295 -179.941 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.569 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.83 -168.93 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -129.2 127.6 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.614 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.539 ' CD1' HG13 ' A' ' 86' ' ' ILE . 4.6 pt -140.45 136.75 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.506 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 1.1 p -135.44 166.35 23.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.558 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -59.23 -43.23 92.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.417 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -64.57 -32.5 74.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.2 t0 -73.82 166.53 23.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.918 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.93 118.58 13.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.5 pt -164.15 136.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -157.5 156.71 29.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.592 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.9 10.92 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.552 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 10.2 t90 71.67 -59.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.5 ' O ' ' CG2' ' A' ' 109' ' ' THR . 32.8 t0 -69.84 52.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.678 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 p -159.15 -55.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.678 ' C ' ' O ' ' A' ' 109' ' ' THR . 49.2 mt 9.4 -107.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.657 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 145.86 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.61 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.86 -63.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.55 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.5 m -49.97 -22.23 1.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.712 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -88.79 -38.51 14.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -66.28 -40.12 89.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.946 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.55 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.94 -14.75 37.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.938 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.606 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.1 -11.43 22.89 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.952 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.608 HD23 ' CZ ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -85.73 -0.19 54.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.972 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.405 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -100.2 107.71 48.78 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -74.98 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.425 1.75 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.584 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.7 p -141.87 -134.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.77 95.91 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.589 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.483 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -75.01 -30.48 7.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.55 1.816 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.567 ' NE2' ' HG ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -115.12 -34.56 4.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.478 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -62.17 -10.92 11.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.6 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.21 -36.3 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -88.62 -2.53 58.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.0 m -105.16 -12.81 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 108.336 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.478 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -98.58 -43.79 6.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.774 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.21 171.25 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' GLY . 19.4 m-20 -148.68 14.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.608 1.192 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.589 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 2.5 p -165.6 88.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.603 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -98.59 117.68 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.925 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.535 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -140.63 126.65 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.613 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 12.3 mtp180 -77.52 35.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.659 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.1 t -56.52 173.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 17.0 ptmt -129.05 118.05 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.603 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -91.48 100.07 12.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.407 ' CG1' ' HE2' ' A' ' 22' ' ' LYS . 2.5 m -101.78 -35.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.479 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.4 t -116.35 162.99 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.947 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -148.31 -174.45 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.648 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.4 ttpt -153.5 113.11 3.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.537 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.3 tt0 -74.23 94.99 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 m -103.45 80.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.89 139.31 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.514 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.8 t -124.6 32.63 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.34 -170.13 4.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.5 m-20 -84.17 165.83 18.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -95.72 -162.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.515 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -79.82 1.06 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -108.25 -1.59 20.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.25 -8.85 77.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.488 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -77.97 153.26 80.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.96 129.3 12.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 0.0 111.027 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.428 HG22 ' OG ' ' A' ' 31' ' ' SER . 36.5 mt -73.64 -95.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.512 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 17.5 ttmt 72.98 120.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.312 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.624 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -125.94 66.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.537 HD13 ' HA ' ' A' ' 28' ' ' GLU . 1.3 mp -37.69 146.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.648 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.8 mm-40 -88.03 179.15 6.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.914 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.856 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.34 69.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.044 -179.933 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.0 tt0 -64.56 66.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.937 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.659 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.2 pt -63.76 -172.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.48 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -124.98 -1.61 7.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.48 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.74 119.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.343 -179.921 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.475 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -126.86 -31.18 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.474 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.36 168.26 26.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.416 ' O ' ' C ' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -146.24 67.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.618 ' CZ ' ' CD1' ' A' ' 118' ' ' LEU . 0.6 OUTLIER -36.47 -78.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.18 57.72 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.57 -169.07 19.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.404 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.1 Cg_endo -75.05 -176.12 2.72 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.409 1.742 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.02 -37.69 58.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.589 1.181 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -77.97 -85.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 0.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.8 t70 152.4 168.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.56 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -119.48 73.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.519 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -68.8 -5.73 22.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 3.4 m-85 -132.86 91.99 2.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.552 HD11 ' CG ' ' A' ' 96' ' ' MET . 0.4 OUTLIER -98.1 166.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.7 m-85 -121.57 146.19 47.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.093 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.555 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 8.1 t -161.82 -168.17 1.87 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.478 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.85 148.82 37.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.516 ' HB3' HD11 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -75.04 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.566 1.824 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.471 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.9 OUTLIER 59.98 -171.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.7 p -69.74 55.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 55.29 92.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.8 OUTLIER -98.81 -40.53 9.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 99' ' ' THR . 39.4 m -124.56 17.95 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 108.322 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.564 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -157.27 -153.64 6.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.527 ' O ' ' C ' ' A' ' 75' ' ' SER . 89.7 t -116.22 -0.94 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 0.0 109.213 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.527 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.3 OUTLIER 28.07 81.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.856 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -103.43 133.12 49.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.514 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -108.63 -6.98 15.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.568 ' CG2' ' N ' ' A' ' 23' ' ' ALA . 5.7 t 69.28 -56.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.504 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -49.18 -12.36 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.488 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -119.48 -23.93 3.02 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.514 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -110.66 -90.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.228 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 169.69 -88.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.547 ' O ' ' O ' ' A' ' 106' ' ' PRO . 6.7 mp0 -151.89 145.06 24.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.834 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.2 p90 -122.18 155.26 36.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.694 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -85.35 3.32 40.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 -179.884 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.834 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.21 104.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.774 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -126.42 113.38 16.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 16' ' ' ASP . . . -141.61 175.7 22.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.117 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -17.45 14.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.787 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.569 ' HA ' ' CB ' ' A' ' 96' ' ' MET . . . 75.92 176.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.218 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -121.71 -42.08 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 155.69 53.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.436 1.085 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.549 ' C ' ' H ' ' A' ' 95' ' ' LYS . 3.6 m-20 56.87 154.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 0.727 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.02 -10.82 0.74 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.549 ' H ' ' C ' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -175.49 143.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.569 ' CB ' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -144.89 -172.84 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.933 -179.93 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -124.39 128.96 49.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.532 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.525 ' CD1' HG13 ' A' ' 86' ' ' ILE . 4.4 pt -140.42 136.42 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.535 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.7 OUTLIER -137.72 164.03 29.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.564 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -58.44 -43.71 88.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -31.86 73.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.093 . . . . 0.0 108.307 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.475 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.8 t0 -75.63 175.49 8.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.875 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -77.94 116.51 18.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.535 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.2 pt -164.44 133.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -154.24 156.82 32.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.604 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.02 11.24 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.456 1.766 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.603 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.6 t90 71.08 -59.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.022 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.486 ' O ' HG22 ' A' ' 109' ' ' THR . 30.6 t0 -69.56 52.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.675 ' O ' ' C ' ' A' ' 110' ' ' LEU . 3.4 p -158.69 -55.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.675 ' C ' ' O ' ' A' ' 109' ' ' THR . 55.7 mt 10.66 -107.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 147.05 -41.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.618 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.06 -58.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.604 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 37.2 m -54.6 -23.88 18.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.655 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -86.14 -36.19 19.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.959 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.494 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -68.11 -39.07 82.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.947 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.604 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 2.0 pttt -63.93 -16.48 61.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.707 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.48 -5.83 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.988 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.618 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 29.1 mt -76.65 -26.92 55.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.7 p30 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.999 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.449 ' O ' HD13 ' A' ' 100' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.8 p -108.03 108.21 61.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.411 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.88 126.06 9.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.811 . . . . 0.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.538 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.3 p -152.57 -134.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 37.39 87.03 0.12 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.57 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 0.6 8.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.482 HE22 ' CD ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -135.68 -44.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.479 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -62.11 -7.6 4.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.917 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.626 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.73 -33.9 27.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.207 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.857 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 m-85 -92.39 7.17 44.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -116.66 -9.35 11.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.506 1.129 . . . . 0.0 108.342 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.479 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.6 OUTLIER -104.11 -40.26 6.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.765 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.31 169.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -145.02 11.59 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.082 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 6.7 p -164.72 92.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.67 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.71 116.19 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.525 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -141.46 127.02 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.61 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 16.4 mtp180 -77.19 36.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.661 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.1 t -58.1 169.11 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.346 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.3 ptmt -125.41 120.47 31.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -91.44 108.46 19.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.505 HG11 ' CB ' ' A' ' 78' ' ' VAL . 1.0 OUTLIER -110.53 -34.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.6 t -119.76 162.73 18.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 4.1 mp0 -145.74 -173.98 4.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.67 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.6 ttpt -153.3 116.52 4.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.481 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 9.2 tt0 -76.8 92.53 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG23 ' NE2' ' A' ' 44' ' ' GLN . 23.2 m -103.42 112.17 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.472 ' N ' ' HZ1' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -59.65 149.74 29.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.444 ' OG ' HG22 ' A' ' 40' ' ' ILE . 2.1 t -134.53 16.29 3.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.39 175.24 36.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.436 1.085 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -82.77 161.29 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -95.17 -162.73 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -78.77 -1.39 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.515 ' CD1' ' OD1' ' A' ' 38' ' ' ASN . 27.0 t80 -98.63 -17.36 18.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.65 -8.65 56.62 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.566 1.166 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.515 ' OD1' ' CD1' ' A' ' 36' ' ' TYR . 0.2 OUTLIER -85.01 154.43 60.68 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.528 0.781 . . . . 0.0 109.373 179.972 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.99 130.25 13.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.444 HG22 ' OG ' ' A' ' 31' ' ' SER . 92.3 mt -64.14 -77.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.628 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.5 tppt? 69.0 123.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 179.934 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.639 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -129.36 67.65 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.97 148.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.67 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.7 mm-40 -90.28 179.36 5.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.628 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.4 OUTLIER -136.32 69.25 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 13.7 tt0 -64.37 68.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.661 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.6 pt -64.24 -169.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.576 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.5 ttpt -127.8 5.26 6.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.576 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 48.32 113.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.06 -30.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.449 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.28 167.14 29.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' PHE . 2.4 ptt? -146.23 68.37 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.6 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -37.76 -80.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.94 -179.883 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.4 OUTLIER -126.18 72.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -125.96 -164.14 11.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.459 1.099 . . . . 0.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.413 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 -174.44 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.771 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.57 -38.18 40.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 1.5 tpmt? -77.24 -85.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.5 t70 154.12 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.368 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.536 ' CG2' ' HG2' ' A' ' 96' ' ' MET . 0.6 OUTLIER -119.83 71.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.513 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -68.58 -5.98 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 3.1 m-85 -131.8 90.81 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.532 HG21 ' HG3' ' A' ' 96' ' ' MET . 0.4 OUTLIER -97.68 166.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.61 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.1 m-85 -121.01 152.47 38.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.628 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.9 t -166.56 -162.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.568 1.167 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.517 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -104.88 152.7 39.61 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.628 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 17.9 Cg_endo -75.11 -161.19 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.68 -160.3 0.3 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.546 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 87.3 p -83.24 30.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 87.31 95.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.264 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.511 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -107.59 -38.39 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.511 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 14.7 m -122.88 14.22 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.541 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.65 -153.12 6.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.484 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 74.2 t -115.67 0.31 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.744 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 74' ' ' VAL . 5.0 p 33.07 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.954 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.665 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -110.78 134.27 52.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 1.1 p30 -126.09 2.62 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.5 t 69.98 -55.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -53.24 -11.85 1.78 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -119.75 -30.73 1.45 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -110.33 -93.79 0.43 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.525 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 162.74 -81.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.519 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -149.01 160.34 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.835 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 3.4 p90 -148.39 152.14 36.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.69 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.35 2.16 33.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.835 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.91 101.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 -179.928 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.765 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -126.52 107.71 10.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.222 -179.924 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -158.17 154.52 25.6 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.1 OUTLIER -37.37 97.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 109.364 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.494 ' HA ' ' CB ' ' A' ' 96' ' ' MET . . . -50.47 178.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 25.1 tt0 -115.04 -34.53 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 151.56 49.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.512 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 13.0 m-20 57.81 149.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 0.782 . . . . 0.0 109.23 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 70.5 -5.62 6.98 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -178.4 141.54 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 0.713 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.536 ' HG2' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -146.75 -172.34 3.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 111.037 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.63 128.0 48.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.539 ' CD1' HG13 ' A' ' 86' ' ' ILE . 3.2 pt -139.83 134.82 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -135.13 164.87 26.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.412 1.07 . . . . 0.0 110.409 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.541 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -57.87 -43.15 85.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -32.75 74.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.441 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.2 t70 -74.0 168.07 20.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.376 179.915 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.857 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -71.79 118.2 14.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.967 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.0 pt -164.63 135.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.509 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.4 156.54 31.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.59 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.93 9.62 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.428 1.752 . . . . 0.0 111.054 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.567 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 12.0 t90 72.96 -59.56 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 108.028 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.504 ' O ' ' CG2' ' A' ' 109' ' ' THR . 33.0 t70 -69.19 52.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.236 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.681 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.9 p -159.12 -57.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.681 ' C ' ' O ' ' A' ' 109' ' ' THR . 44.6 mt 11.0 -107.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.238 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.18 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.18 -66.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 11.2 m -47.84 -25.1 1.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.463 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.693 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -85.58 -35.28 21.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.95 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.13 -40.55 74.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.482 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.47 -21.02 65.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.66 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.24 -14.51 30.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.537 HD12 ' CE2' ' A' ' 53' ' ' PHE . 37.2 mt -68.81 -31.38 70.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -103.54 111.49 65.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.065 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.96 120.55 6.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.529 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.4 p -147.39 -133.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.08 83.46 0.2 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.574 -179.962 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.44 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.7 Cg_endo -74.94 3.56 5.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.55 1.816 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -140.32 -43.65 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.336 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.0 mt-30 -65.19 -4.14 4.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.6 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.36 -37.07 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.871 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.4 m-85 -85.98 -10.28 55.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.61 -15.06 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 108.306 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.82 -43.77 7.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.776 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.21 170.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER -149.46 13.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 3.3 p -164.93 87.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.669 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -98.45 121.27 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.547 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.1 pt -145.42 126.02 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.673 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.0 mtp180 -77.7 39.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.236 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.633 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.2 t -61.14 166.2 3.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.495 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 15.7 ptmt -120.97 121.3 37.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -92.91 102.28 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG1' HG12 ' A' ' 78' ' ' VAL . 3.8 m -105.83 -35.05 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -116.39 162.11 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.103 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.4 mp0 -144.13 -175.19 4.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.691 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.3 ttpt -154.87 113.8 3.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.458 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 7.6 tt0 -74.73 92.08 2.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 4.9 m -97.79 96.56 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -46.72 146.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.529 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.2 t -134.82 18.48 3.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.62 -175.05 27.02 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.474 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.9 m-20 -84.22 166.13 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.0 t0 -96.16 -162.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.522 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -79.88 1.38 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -109.11 -0.61 19.31 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.61 -9.58 73.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.474 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -77.67 154.19 81.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.08 130.28 13.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.529 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 48.4 mt -71.83 -83.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.552 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.32 123.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.601 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -128.43 68.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.972 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.5 145.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.691 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.2 mm-40 -89.5 -178.44 5.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.621 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.98 68.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.3 tt0 -62.34 69.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.622 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.1 pt -68.0 -172.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.575 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.8 ttpt -124.28 7.81 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.575 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.0 mm100 39.37 103.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.495 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -111.24 -33.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.536 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -144.24 162.01 37.46 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -142.26 69.89 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -36.74 -78.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.951 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 8.2 tptp -128.53 70.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -116.33 -164.4 13.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.543 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -74.97 -168.03 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -95.49 -34.77 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.43 -79.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.591 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.4 t70 148.42 163.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.543 HD12 ' CG ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -104.17 -80.06 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.514 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 74.09 -7.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 110.328 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.517 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -141.68 93.74 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.524 HD11 ' CG ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -100.3 170.22 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.594 1.184 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.683 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -124.27 160.01 28.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.621 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.9 t -174.54 -162.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.512 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -109.61 153.63 42.82 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.552 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.5 Cg_endo -74.98 -160.7 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 62.59 -163.7 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.932 179.922 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.7 p -79.29 39.93 0.41 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 75' ' ' SER . . . 75.87 97.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.51 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -107.48 -36.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 99' ' ' THR . 17.1 m -127.09 18.27 7.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.933 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.474 ' O ' ' HB3' ' A' ' 100' ' ' LEU . . . -157.12 -155.91 7.67 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.587 ' O ' ' C ' ' A' ' 75' ' ' SER . 47.6 t -116.51 10.18 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.587 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER 22.95 88.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.659 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -107.76 128.76 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.601 1.188 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.571 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -117.39 -8.04 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.571 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 1.2 t 75.21 -34.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.31 -9.83 25.42 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.489 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -127.01 -37.59 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.556 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -94.66 -100.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.49 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.07 -68.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.208 179.973 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.543 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -159.86 163.36 34.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.834 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.5 p90 -146.97 153.12 39.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.695 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.37 3.86 33.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.834 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 8.99 102.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.776 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -124.78 110.97 14.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 16' ' ' ASP . . . -140.15 -178.68 17.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.08 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -59.94 -19.05 49.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.565 ' HA ' ' CB ' ' A' ' 96' ' ' MET . . . 75.88 -178.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.515 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 42.2 tt0 -125.77 -41.69 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.55 53.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 95' ' ' LYS . 12.6 t70 57.03 154.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 0.76 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.488 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 65.21 -4.82 1.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -179.65 144.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.565 ' CB ' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -147.43 -170.83 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.928 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.683 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -130.7 126.32 36.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.6 179.999 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.562 ' CD1' ' CG1' ' A' ' 86' ' ' ILE . 9.3 pt -134.58 140.86 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.555 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 2.2 p -138.23 159.61 41.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.537 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -60.96 -22.47 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -28.8 27.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.447 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 21.1 t0 -81.31 172.73 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.871 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.8 118.23 14.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 99' ' ' THR . 4.9 pt -164.73 137.04 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.521 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -156.49 157.89 31.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.611 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.06 10.85 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.673 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.0 t90 71.51 -60.36 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.481 ' O ' HG22 ' A' ' 109' ' ' THR . 38.2 t70 -70.01 52.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.674 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.7 p -158.16 -58.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.674 ' C ' ' O ' ' A' ' 109' ' ' THR . 51.9 mt 13.06 -107.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 146.56 -41.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.59 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.43 -65.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.488 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 24.5 m -49.48 -28.04 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.742 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -82.32 -31.26 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.311 179.942 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.494 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.3 OUTLIER -75.0 -41.99 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.425 ' O ' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -61.55 -20.26 63.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.682 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.38 -10.37 41.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 110.017 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.612 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 49.6 mt -74.51 -28.01 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.969 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.9 p -135.23 130.04 19.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.427 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -74.96 127.65 10.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.436 1.756 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 8.6 p -146.4 -133.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.535 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER 33.33 88.3 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.614 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 3.12 5.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.549 1.815 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.511 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 6.8 tp-100 -141.35 -45.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 6.5 mt-30 -63.78 -5.61 4.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.608 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.63 -37.97 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.873 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -87.3 3.21 47.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.431 1.082 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.5 -15.55 13.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 -179.935 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.1 -36.99 10.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.738 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.03 172.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -150.17 13.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.56 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 11.5 p -167.31 91.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.683 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -101.16 119.26 49.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.539 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -145.17 126.16 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.591 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.4 ttm180 -77.55 38.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.586 1.179 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.612 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.2 t -61.67 166.31 4.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.454 1.096 . . . . 0.0 110.488 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 13.9 ptmt -120.63 121.25 37.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.54 104.79 16.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.488 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 4.4 m -108.95 -34.18 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -116.69 166.51 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -149.56 179.84 7.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.662 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.7 ttpt -147.34 113.17 5.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.446 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.5 tt0 -74.33 90.83 2.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.379 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.41 HG23 ' NE2' ' A' ' 44' ' ' GLN . 10.8 m -98.07 94.6 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.499 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -44.32 147.25 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.528 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.3 t -134.67 17.74 3.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.75 -175.4 26.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.107 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.466 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 9.6 m-80 -84.45 165.89 17.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.78 -161.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.518 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.84 0.32 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -107.9 -0.41 21.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.14 -8.3 77.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -78.51 153.09 78.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -74.98 129.58 12.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.405 1.739 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.528 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 48.8 mt -70.81 -82.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.554 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 68.69 123.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.632 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.5 ptt180 -128.75 68.82 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 28' ' ' GLU . 1.1 mp -42.44 142.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.662 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.5 mm-40 -85.36 -176.34 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.343 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.869 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -138.28 70.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.2 tt0 -63.39 68.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.613 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.1 pt -66.71 -172.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.594 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.4 ttpt -123.63 10.91 9.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.8 mm100 35.79 101.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.496 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -111.25 -32.77 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -142.12 160.28 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.463 ' HG3' ' CG2' ' A' ' 19' ' ' ILE . 31.8 ttm -142.05 67.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CD1' HD21 ' A' ' 118' ' ' LEU . 14.8 m-85 -39.45 -82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.537 ' C ' ' CE ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -123.67 76.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.41 ' N ' ' HE3' ' A' ' 54' ' ' LYS . . . -124.47 -162.89 11.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.505 ' CB ' ' OD1' ' A' ' 93' ' ' ASP . 18.0 Cg_endo -75.02 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -99.4 -34.34 10.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.311 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -72.97 -79.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.93 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.611 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.7 t70 149.57 165.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.503 ' HA ' ' CA ' ' A' ' 94' ' ' GLY . 0.8 OUTLIER -106.94 -79.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.501 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 74.36 -9.21 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -144.12 94.71 2.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.955 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.531 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -98.02 171.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.945 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.65 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -122.57 151.68 41.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.606 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.5 t -168.36 -162.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.514 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -107.99 153.3 41.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.554 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo -75.04 -158.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.498 1.789 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 53.96 -170.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 110.025 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -71.03 53.09 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 61.78 102.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.491 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -110.32 -27.65 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 99' ' ' THR . 8.5 m -137.46 13.87 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 108.317 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.55 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.39 -152.71 6.03 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' A' ' 75' ' ' SER . 50.6 t -114.68 3.14 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.237 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 74' ' ' VAL . 60.4 p 28.09 83.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.059 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.869 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -104.09 138.1 41.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.467 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.3 OUTLIER -126.73 0.53 6.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.2 t 70.93 -54.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.348 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.21 -12.63 1.43 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.444 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.25 -29.33 1.97 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -111.31 -93.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.511 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 163.71 -73.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -155.78 164.05 39.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.79 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.3 p90 -150.33 152.36 34.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 1.136 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.691 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.38 3.91 29.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.79 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.68 101.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.741 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -128.46 106.75 9.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -160.38 155.55 26.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -35.0 95.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 0.709 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -55.77 174.72 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.501 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 22.3 tp10 -118.6 -2.76 10.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 141.37 -109.98 0.62 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 0.0 111.063 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.505 ' OD1' ' CB ' ' A' ' 56' ' ' PRO . 77.1 m-20 -143.49 133.63 24.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.503 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 87.89 -4.37 85.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.6 141.66 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.531 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.45 -169.75 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.438 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -124.91 133.69 52.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 179.979 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 64' ' ' TYR . 15.9 pt -145.28 137.41 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.517 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -135.77 159.34 41.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.55 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -55.49 -44.52 76.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.432 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -63.11 -32.34 73.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.476 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.4 t0 -74.11 168.2 20.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.873 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.96 119.28 14.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.523 ' CG2' ' O ' ' A' ' 103' ' ' PHE . 3.4 pt -166.41 135.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.537 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -154.96 157.46 31.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.585 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 10.18 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.447 1.762 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 10.1 t90 72.88 -60.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.491 ' O ' ' CG2' ' A' ' 109' ' ' THR . 25.2 t70 -69.44 53.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 3.3 p -159.11 -56.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.676 ' C ' ' O ' ' A' ' 109' ' ' THR . 65.3 mt 11.69 -106.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.66 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 145.45 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.614 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.62 -63.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.35 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.608 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 6.0 m -50.34 -24.74 3.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.721 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -85.74 -38.49 18.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.4 OUTLIER -65.33 -40.6 93.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.608 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -60.76 -20.56 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.73 -10.38 40.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.057 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.575 HD21 ' CD1' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -87.44 7.21 30.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.943 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.417 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 19.4 p -92.47 121.37 66.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.999 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.04 121.36 6.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.579 1.831 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 8.8 p -148.4 -134.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.517 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 35.48 89.22 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HB2' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.08 -31.36 6.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.509 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.3 OUTLIER -96.62 -41.29 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.501 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -67.53 -6.34 19.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.612 ' HB2' ' CG ' ' A' ' 103' ' ' PHE . . . -84.49 -36.36 22.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.856 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.8 m-85 -89.78 2.07 55.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -110.73 -11.4 14.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 108.284 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -102.37 -42.17 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.739 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.23 171.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.48 15.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.607 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 11.9 p -165.5 86.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.915 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.679 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -98.48 117.73 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.56 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -143.24 124.71 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.661 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.7 ttp180 -76.57 40.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.612 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.6 t -63.57 171.58 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.489 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 13.7 ptmt -125.08 120.53 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.7 102.69 14.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.487 ' CG1' HG12 ' A' ' 78' ' ' VAL . 3.4 m -105.23 -35.44 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.405 1.066 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -115.94 166.29 12.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.95 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.2 mp0 -150.56 -179.24 7.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.927 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.674 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -145.49 113.88 6.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.446 ' HA ' HD13 ' A' ' 43' ' ' ILE . 3.0 tt0 -74.38 93.0 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.403 HG22 ' NH1' ' A' ' 42' ' ' ARG . 27.4 m -106.42 122.64 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.241 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.54 160.89 18.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 31' ' ' SER . 2.2 t -148.16 19.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.601 1.188 . . . . 0.0 109.957 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.53 177.9 42.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.47 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 9.3 m-20 -85.19 164.5 18.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.2 t70 -95.72 -162.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.502 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 3.0 mp -79.7 0.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.31 -1.06 20.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.56 -8.74 76.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.145 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.47 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.0 p-10 -78.68 153.39 78.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.08 129.97 12.76 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.406 1.74 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.43 HG23 ' HB3' ' A' ' 31' ' ' SER . 52.5 mt -64.17 -78.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.631 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.1 tppt? 69.95 126.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.666 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -131.37 66.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -39.51 141.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.674 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.9 mm-40 -83.65 -177.94 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.64 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.81 70.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.7 tt0 -63.6 67.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.612 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.3 pt -66.57 -177.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.489 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -118.74 -4.17 10.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.511 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 12.8 mm100 55.79 117.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.449 HD13 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -124.09 -35.76 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' HG12 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -143.97 163.36 33.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.508 ' CE ' ' O ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -144.07 64.69 1.31 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 20.7 m-85 -39.39 -81.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.402 1.064 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.607 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -119.32 72.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.441 ' HA2' HG21 ' A' ' 17' ' ' VAL . . . -127.11 -166.92 12.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.508 ' O ' ' CE ' ' A' ' 52' ' ' MET . 18.2 Cg_endo -75.04 -176.17 2.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.432 1.754 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -92.0 -32.6 15.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.666 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -71.91 -80.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.666 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.5 t70 149.27 163.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.511 HG23 ' CG ' ' A' ' 96' ' ' MET . 1.3 mm -106.14 -79.07 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.394 1.059 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 75.64 -8.35 1.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.569 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -145.98 95.89 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.549 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -100.66 171.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.721 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -123.49 148.69 45.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.64 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 9.8 t -166.23 -165.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.569 1.168 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.462 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -99.61 154.52 37.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.631 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.02 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.517 1.798 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.04 -174.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.938 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.559 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 1.4 p -47.59 -44.65 26.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.051 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 158.11 105.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.564 HG21 ' N ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -108.84 -37.61 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.564 ' N ' HG21 ' A' ' 71' ' ' VAL . 19.2 m -130.28 20.69 5.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 108.255 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.584 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -161.96 -156.12 8.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 75' ' ' SER . 69.9 t -115.66 -4.01 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 32.44 85.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.611 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.11 133.1 48.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.598 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -113.79 -9.49 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.961 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.598 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER 76.88 -42.28 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -56.92 -11.7 6.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.488 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -121.31 -32.46 1.05 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.536 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.79 -98.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.609 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 166.11 -74.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.945 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.609 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 10.7 mp0 -151.65 161.15 43.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.817 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 1.8 p90 -145.37 153.4 41.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.693 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.0 2.83 32.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.817 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.28 99.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.75 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -125.18 107.77 11.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.431 ' C ' ' N ' ' A' ' 90' ' ' ALA . . . -141.01 165.94 26.11 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 2.5 tttm -39.47 -31.96 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 85.07 -178.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.584 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.0 tm-20 -136.0 -42.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.42 -146.33 8.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.515 ' O ' ' CE ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -102.43 125.71 49.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 87.75 -3.31 86.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -167.54 139.03 3.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.351 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.584 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -137.21 -157.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.721 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -143.36 124.1 14.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 -179.948 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.504 ' CD1' HG13 ' A' ' 86' ' ' ILE . 1.2 pt -138.6 143.29 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -141.04 164.52 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.584 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.2 pt? -58.94 -49.9 76.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.446 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 5.4 t -62.76 -13.33 31.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 108.362 179.95 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.437 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.3 t0 -92.71 166.66 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.856 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -70.28 115.63 9.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.488 ' CD1' HG22 ' A' ' 74' ' ' VAL . 5.9 pt -163.99 133.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.506 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -155.31 157.99 31.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.571 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 4.65 4.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.661 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 2.0 t90 77.97 -56.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.56 ' O ' ' CG2' ' A' ' 109' ' ' THR . 12.6 t0 -70.6 50.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.66 ' O ' ' C ' ' A' ' 110' ' ' LEU . 19.6 p -159.49 -60.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.66 ' C ' ' O ' ' A' ' 109' ' ' THR . 93.7 mt 16.28 -106.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.618 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.6 m 149.72 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.26 -68.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 110.446 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.509 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 1.1 m -47.71 -24.21 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.805 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -85.84 -32.84 21.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.509 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -71.43 -42.52 68.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.361 179.962 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.471 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -62.11 -21.16 64.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -87.45 -14.4 40.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.606 HD23 ' CZ ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -76.64 -15.83 59.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.231 -179.991 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.431 ' O ' HD13 ' A' ' 100' ' ' LEU . 1.8 m . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -103.43 109.76 62.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.962 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.06 127.43 10.64 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.603 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.9 p -154.58 -133.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.92 86.67 0.13 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.607 -179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.446 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.6 Cg_endo -74.94 0.9 8.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.543 1.812 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.49 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -138.07 -42.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.2 mt-30 -64.83 -4.52 4.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.62 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.21 -37.37 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.871 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.4 m-85 -87.21 -1.76 58.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 -179.922 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.1 m -106.76 -15.38 14.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 -179.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.06 -40.22 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.739 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -55.32 171.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -149.82 15.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 7.3 p -166.77 89.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.699 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -101.14 119.51 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.529 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.1 pt -145.01 125.28 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.653 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.7 mtp180 -76.38 37.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.623 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.2 t -58.56 169.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.503 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 14.9 ptmt -124.17 118.06 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.589 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.45 102.37 14.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.49 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 8.6 m -107.23 -31.96 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.494 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -117.46 164.0 15.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.952 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.9 mp0 -148.99 -179.84 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.9 ttpt -145.82 112.97 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.59 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 4.2 tt0 -74.93 92.23 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.471 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 34.9 m -107.21 116.08 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.496 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.3 m-20 -56.91 161.34 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.457 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.4 t -146.59 18.02 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.957 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.422 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 77.15 177.88 46.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.3 m120 -84.46 163.77 19.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.773 . . . . 0.0 109.33 179.927 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.7 t0 -95.05 -161.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.524 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -81.19 0.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.8 -1.47 19.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.59 -9.0 77.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.8 p-10 -77.74 153.57 80.82 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.778 . . . . 0.0 109.369 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 129.52 12.33 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.457 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 63.4 mt -64.99 -79.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.59 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.2 tppt? 69.25 126.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.643 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -130.61 69.35 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.99 140.48 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.643 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 5.7 mm-40 -82.28 -179.25 7.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.34 67.8 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.617 1.198 . . . . 0.0 110.968 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.494 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 11.4 tt0 -62.72 72.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.623 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.9 pt -67.85 -167.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.643 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.9 ttpt -132.41 10.34 4.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.232 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.643 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 42.76 110.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -118.88 -29.4 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.511 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -151.91 169.96 21.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.445 ' CE ' HG23 ' A' ' 19' ' ' ILE . 2.7 ttm -146.32 70.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.64 ' CZ ' ' CD1' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -41.88 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.973 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 18' ' ' VAL . 19.3 tptt -128.14 73.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.08 -155.93 8.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.435 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.1 Cg_endo -75.07 -170.6 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -89.09 -35.35 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.36 -80.31 0.17 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 153.86 171.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.494 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.8 mm -98.31 -69.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.573 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 72.36 -9.41 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.355 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.551 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -146.2 99.31 3.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 111.005 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.533 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -105.22 172.16 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.782 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -127.24 150.6 49.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.559 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 8.7 t -166.14 -163.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.378 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.486 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -102.89 154.52 37.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.564 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.7 Cg_endo -74.99 -161.3 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.396 1.735 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.06 -172.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.568 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 3.7 p -47.92 -46.88 32.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 156.88 106.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.511 ' O ' ' CD2' ' A' ' 100' ' ' LEU . 1.1 m -109.33 -43.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 99' ' ' THR . 85.7 m -124.0 30.55 6.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.058 . . . . 0.0 108.311 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.499 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -171.22 -160.12 18.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.504 ' O ' ' C ' ' A' ' 75' ' ' SER . 97.2 t -115.06 0.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.504 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 31.03 84.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.437 1.086 . . . . 0.0 110.023 -179.991 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.663 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.4 133.13 49.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.472 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -117.92 -2.27 11.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.59 -53.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.373 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.75 -15.58 0.33 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.911 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.467 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -117.28 -31.59 1.66 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.523 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -104.91 -94.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 0.728 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.9 -66.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.378 -179.965 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -163.28 168.66 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.799 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.2 p90 -152.22 154.05 35.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.684 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.48 2.78 39.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.799 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 11.16 101.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.364 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.761 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -126.61 106.98 9.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' LYS . . . -142.31 173.2 23.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.583 1.177 . . . . 0.0 111.023 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.9 tttm -40.62 -40.86 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 85.76 175.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.1 tp10 -132.86 3.78 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.31 -121.27 3.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -130.65 144.72 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 74.61 -0.16 56.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -176.15 139.77 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.559 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -146.53 -170.38 3.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.946 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.782 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -130.16 128.78 42.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.646 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.552 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.7 pt -138.4 143.61 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.541 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 2.2 p -140.15 167.55 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -65.79 -33.6 76.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.906 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -24.57 61.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.426 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.0 t0 -84.95 169.6 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.871 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -71.37 119.27 15.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.1 pt -165.14 137.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.544 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.18 158.59 32.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.222 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.6 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 10.27 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.653 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.3 t90 72.02 -60.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.508 ' O ' HG22 ' A' ' 109' ' ' THR . 51.2 t0 -70.0 52.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.652 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.6 p -158.12 -59.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.652 ' C ' ' O ' ' A' ' 109' ' ' THR . 57.9 mt 14.0 -107.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.942 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.641 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 146.69 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.25 -66.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.49 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 14.2 m -48.42 -27.58 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.72 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -83.94 -30.02 26.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 110.249 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.483 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.3 OUTLIER -75.62 -40.83 55.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.43 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.14 -20.49 64.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.933 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.696 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -90.58 -13.04 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.015 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.64 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 50.2 mt -72.38 -29.96 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.5 p -112.98 106.48 55.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.91 125.29 9.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 7.2 p -149.61 -132.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.522 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 36.74 87.4 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.629 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.808 . . . . 0.0 110.948 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.503 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 8.6 tp-100 -138.91 -43.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.6 mt-30 -65.29 -4.75 5.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.611 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -84.43 -36.43 22.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.897 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -89.25 -1.56 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.68 -15.06 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 0.0 108.361 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.25 -39.93 9.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.686 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.57 172.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.02 15.77 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.539 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 3.5 p -165.64 87.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.576 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -100.26 119.96 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.567 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.95 123.22 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.675 ' CZ ' ' CZ3' ' A' ' 107' ' ' TRP . 2.1 ttm180 -75.7 39.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.414 1.072 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.626 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.2 t -60.39 172.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.8 ptmt -126.33 119.33 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.61 99.06 11.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.488 ' CG1' HG12 ' A' ' 78' ' ' VAL . 6.2 m -101.66 -35.72 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.6 t -115.09 164.24 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -146.72 -173.26 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.696 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.0 ttpt -153.09 119.04 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.39 1.056 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.502 ' CB ' HD13 ' A' ' 43' ' ' ILE . 6.2 tt0 -79.51 94.93 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.745 ' N ' ' HZ3' ' A' ' 41' ' ' LYS . 33.2 m -108.86 92.99 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.404 ' HA ' ' HE3' ' A' ' 41' ' ' LYS . 1.2 m-20 -49.87 141.33 10.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 31' ' ' SER . 3.0 t -122.8 32.8 5.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.13 -171.45 0.58 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -86.19 164.79 17.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 0.811 . . . . 0.0 109.342 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.6 t0 -96.47 -160.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.525 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.5 1.93 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -107.64 -2.57 20.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.26 -6.86 82.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 11.7 p-10 -83.14 153.21 66.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.258 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 129.29 12.18 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.525 1.803 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.458 HG22 ' OG ' ' A' ' 31' ' ' SER . 65.3 mt -69.61 -80.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.745 ' HZ3' ' N ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER 71.77 121.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.542 ' N ' ' HE2' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -137.58 76.03 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 -179.995 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -49.89 153.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.696 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.0 mm-40 -90.96 178.74 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.707 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -135.54 68.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.3 tt0 -63.25 71.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.626 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.2 pt -68.38 -168.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.605 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.7 ttpt -131.15 13.72 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 39.01 105.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.502 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -115.66 -27.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -151.62 161.61 42.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.05 78.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.597 ' CD2' ' CD2' ' A' ' 118' ' ' LEU . 10.7 m-85 -53.09 -69.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' A' ' 18' ' ' VAL . 3.8 tptt -133.25 165.18 25.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.539 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 126.31 -137.01 9.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 111.029 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.421 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -74.94 -167.84 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -112.3 -30.27 7.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.96 -78.31 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.3 t0 154.76 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.516 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -104.15 -72.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.568 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.8 mt-10 73.69 -9.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.314 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.536 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -146.24 97.99 3.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.547 1.154 . . . . 0.0 111.051 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.522 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -103.86 165.65 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.596 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.2 m-85 -120.68 146.03 46.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.92 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.707 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 10.1 t -164.65 -161.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.354 -179.93 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.465 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.61 146.13 32.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.566 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.03 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 65.92 -159.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 92.3 p -78.91 31.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' A' ' 68' ' ' SER . . . 78.23 106.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.529 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -113.04 -38.98 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.529 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 14.2 m -124.26 14.33 8.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.561 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.42 -154.65 6.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.512 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 68.6 t -111.36 -2.7 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.469 ' HB3' ' CA ' ' A' ' 70' ' ' ALA . 16.4 p 34.53 80.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.606 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.24 130.89 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.59 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.65 -10.67 11.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.926 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.59 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 2.1 t 74.51 -15.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.631 1.207 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -75.05 -7.87 82.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.488 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -133.15 -31.0 0.45 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.528 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -97.76 -99.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.636 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 167.41 -72.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 16.8 mp0 -154.62 162.4 41.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.233 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.776 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.3 p90 -143.93 152.52 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.681 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.32 3.02 33.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.776 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.89 102.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.688 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -131.18 103.09 6.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -157.89 166.3 33.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -37.88 97.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.485 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . . . -63.52 174.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.518 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.4 tp10 -124.47 4.29 8.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.95 -120.43 2.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.1 133.8 41.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.467 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 88.28 -3.28 85.49 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.536 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.44 143.25 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.522 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -147.98 -169.65 3.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.48 131.32 51.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.6 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.513 ' CD1' HG13 ' A' ' 86' ' ' ILE . 7.8 pt -142.79 143.79 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.536 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -142.09 162.76 34.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.561 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.6 OUTLIER -58.74 -43.16 90.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.428 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -63.96 -31.97 73.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.289 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.431 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.8 t0 -75.13 167.57 21.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.897 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -70.78 119.66 15.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' A' ' 99' ' ' THR . 5.0 pt -165.99 134.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.79 157.53 31.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.578 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 7.12 3.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.675 ' CZ3' ' CZ ' ' A' ' 20' ' ' ARG . 3.3 t90 75.47 -57.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.519 ' O ' ' CG2' ' A' ' 109' ' ' THR . 10.5 t70 -69.7 50.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.706 ' O ' ' C ' ' A' ' 110' ' ' LEU . 13.1 p -158.65 -52.16 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.924 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.706 ' C ' ' O ' ' A' ' 109' ' ' THR . 49.0 mt 6.03 -107.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.651 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.46 -41.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.041 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.622 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.04 -63.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.379 179.942 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.647 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 5.2 m -49.82 -21.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.342 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.708 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -88.92 -40.12 13.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.49 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 1.4 mtmt -65.84 -37.97 87.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.647 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.22 -20.98 64.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.594 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -89.94 -20.59 23.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.597 ' CD2' ' CD2' ' A' ' 53' ' ' PHE . 1.3 mt -78.61 -0.87 31.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.945 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 53.4 p -84.44 121.99 75.14 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.95 69.63 5.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.523 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.4 p -83.18 -134.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.38 95.58 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.623 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.499 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -75.03 -33.69 4.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.554 ' NE2' ' HG ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -113.73 -33.99 5.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 0.0 110.368 179.964 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.609 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.4 OUTLIER -61.92 -11.32 12.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.236 -179.978 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.614 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.17 -36.74 24.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.876 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -88.3 0.01 56.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.6 m -108.32 -11.45 15.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 108.318 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.609 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.4 OUTLIER -101.01 -41.44 6.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.229 -179.94 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.783 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.56 170.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.603 1.189 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -148.73 14.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.518 HG13 ' CB ' ' A' ' 90' ' ' ALA . 9.2 p -165.65 88.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.647 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.75 116.51 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.527 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -141.33 124.77 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.658 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.3 mtp180 -76.25 39.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.61 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.7 t -60.37 177.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 14.3 ptmt -132.75 119.49 20.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.595 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.01 99.12 11.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.486 ' CG1' HG12 ' A' ' 78' ' ' VAL . 2.8 m -100.48 -37.51 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.565 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -105.54 170.72 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.948 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.509 ' HG3' ' CG2' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -155.32 151.54 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.281 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.701 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.5 ttpt -124.62 105.13 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 1.4 tt0 -72.41 90.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.945 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.401 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 27.0 m -101.68 126.09 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.24 159.42 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.8 t -144.72 18.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.63 -179.81 43.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.466 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 7.3 m-20 -85.33 164.19 18.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.18 -161.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.529 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -80.77 -0.49 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -107.27 -0.37 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.23 -8.24 77.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.418 1.074 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.68 153.09 78.28 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.6 Cg_endo -75.01 128.66 11.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.431 HG22 ' OG ' ' A' ' 31' ' ' SER . 47.4 mt -64.63 -79.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.635 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 11.9 tppt? 69.19 125.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.683 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -129.97 67.78 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.509 ' CG2' ' HG3' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -38.81 145.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.701 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 11.7 mm-40 -91.05 -179.88 5.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.699 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.7 OUTLIER -136.4 69.05 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.178 . . . . 0.0 111.004 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.565 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.6 tt0 -62.93 68.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.618 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 2.7 pt -64.88 -170.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -129.56 2.01 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.497 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.3 119.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.98 -27.93 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.53 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -157.36 169.23 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -145.33 66.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.952 -179.952 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.627 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -36.95 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.487 ' HB3' HG21 ' A' ' 18' ' ' VAL . 2.0 tptt -127.93 69.8 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.85 -157.06 9.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.488 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -74.98 -174.87 2.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -92.53 -32.84 14.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.347 179.929 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -77.57 -80.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 151.39 169.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.488 HD12 ' CG ' ' A' ' 56' ' ' PRO . 1.3 mm -102.38 -72.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.557 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 75.1 -7.76 1.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.583 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -149.24 102.61 3.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.911 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.544 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -108.44 164.37 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 4.4 m-85 -117.51 152.97 33.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.699 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 9.9 t -169.81 -160.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.487 ' CB ' HG23 ' A' ' 71' ' ' VAL . . . -104.32 155.1 37.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.635 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.06 -159.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.47 1.773 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.93 -174.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.676 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 2.1 t -52.4 -32.17 37.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.676 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 149.34 108.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.521 HG21 ' N ' ' A' ' 72' ' ' CYS . 1.3 m -110.05 -45.2 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.521 ' N ' HG21 ' A' ' 71' ' ' VAL . 71.0 m -124.32 15.62 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.215 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.559 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -151.04 -158.41 8.3 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.488 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 52.9 t -114.24 -4.58 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.542 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 35.72 89.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.666 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -106.28 131.58 53.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.518 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -114.98 -6.24 12.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.946 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 70.78 -48.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 -179.971 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.463 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.43 -18.07 0.3 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.497 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.38 -34.97 1.14 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.555 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -97.05 -97.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 0.0 109.332 -179.956 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.58 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -159.37 164.2 34.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.812 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.0 p90 -146.67 153.89 40.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.591 1.182 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.696 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.66 3.55 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.812 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.76 102.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.783 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -127.47 112.12 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -145.41 -179.16 21.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.11 -34.62 14.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.571 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 81.63 173.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.1 tp10 -134.68 6.85 3.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.2 -123.65 4.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -128.47 144.02 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 78.58 -3.49 63.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.61 144.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.783 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.571 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -146.83 -169.18 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.961 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.484 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -127.55 129.87 48.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.6 179.959 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.523 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.2 pt -143.16 143.0 25.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.556 ' OG1' ' HB2' ' A' ' 102' ' ' ASP . 0.6 OUTLIER -138.95 166.67 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.559 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -62.09 -50.62 71.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.246 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.471 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 5.3 t -62.63 -14.63 45.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.319 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.556 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.9 t0 -89.33 168.58 12.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.876 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -71.38 115.14 10.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.426 1.079 . . . . 0.0 111.015 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.534 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.3 pt -164.6 135.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.541 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -154.75 158.34 32.18 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.612 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 11.54 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.658 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.9 t90 70.7 -61.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.471 ' O ' HG22 ' A' ' 109' ' ' THR . 48.1 t0 -69.12 52.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.659 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.6 p -157.92 -57.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.443 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.659 ' C ' ' O ' ' A' ' 109' ' ' THR . 62.5 mt 14.17 -107.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 148.43 -42.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.05 -59.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.608 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 31.8 m -54.72 -22.96 15.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.446 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.66 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -86.78 -34.43 19.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.944 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.482 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.6 OUTLIER -69.48 -38.54 77.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.608 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 3.0 pttt -63.73 -17.12 62.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.697 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.23 -5.98 32.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.614 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 22.6 mt -75.85 -30.25 58.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.965 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.408 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 2.8 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.3 p -125.61 118.59 24.51 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.96 85.29 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.523 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 7.6 p -103.16 -133.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.523 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 33.51 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.601 179.979 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.442 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -74.96 3.4 5.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.43 ' OE1' ' OG ' ' A' ' 117' ' ' SER . 4.1 tp-100 -140.05 -41.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.571 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -64.9 -7.58 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.967 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.624 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.45 -35.26 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.859 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -90.51 7.78 37.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -117.16 -11.06 10.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 108.333 179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.571 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -101.03 -38.14 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.689 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.51 173.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -148.97 11.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 2.6 p -167.25 90.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.581 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -99.74 119.44 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.528 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -144.29 125.1 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.689 ' CZ ' ' CZ2' ' A' ' 107' ' ' TRP . 3.2 mtp180 -76.32 39.92 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.618 ' CG2' HD11 ' A' ' 47' ' ' ILE . 1.8 t -61.48 175.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.102 . . . . 0.0 110.404 -179.953 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 13.6 ptmt -130.35 119.69 23.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.628 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.34 101.53 13.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.928 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.451 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 2.8 m -103.61 -33.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.492 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.7 t -117.76 162.22 18.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -145.66 -174.56 4.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.97 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.634 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.2 ttpt -152.84 113.01 3.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.509 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -75.67 90.6 2.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.234 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.2 m -99.46 83.41 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.74 143.07 2.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.512 ' OG ' ' O ' ' A' ' 31' ' ' SER . 2.0 t -127.06 32.02 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.96 -171.64 7.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.444 1.09 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -83.89 165.09 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.2 t70 -96.27 -162.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.511 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.9 mp -79.74 0.91 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -107.63 -3.05 19.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.97 -6.92 83.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.492 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -80.63 153.35 73.28 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.506 0.768 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.05 128.2 11.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.46 1.769 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.474 HG21 ' N ' ' A' ' 41' ' ' LYS . 36.8 mt -70.92 -94.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.474 ' N ' HG21 ' A' ' 40' ' ' ILE . 25.0 ttmt 73.73 125.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.643 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -129.58 68.62 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.952 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.545 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -37.96 143.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.643 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 8.1 mm-40 -86.2 -177.73 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.6 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -138.69 65.3 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.949 -179.959 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 9.8 tt0 -60.49 71.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.628 ' HA ' ' HA ' ' A' ' 23' ' ' ALA . 2.8 pt -67.41 -173.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.8 ttpt -125.76 -0.23 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.478 ' NE2' ' OD1' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 57.8 124.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.431 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -130.14 -30.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.52 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -156.14 169.83 23.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.62 70.16 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 0.7 OUTLIER -39.76 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.974 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.535 ' HB3' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -133.05 65.12 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.09 -156.21 10.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.575 1.172 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.52 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -74.98 -166.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.598 1.841 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.53 -37.13 12.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.08 -82.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.953 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 6.2 t0 159.56 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.931 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.587 HG13 ' SD ' ' A' ' 96' ' ' MET . 1.2 mm -98.6 -72.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.373 179.947 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.599 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 73.01 -6.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.96 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.597 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -149.8 98.36 2.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.974 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.534 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -105.4 171.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.956 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.734 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -122.84 150.04 43.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 1.084 . . . . 0.0 110.971 -179.957 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.6 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 5.2 t -166.44 -171.2 1.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.381 179.936 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.496 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -100.15 150.36 36.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.545 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.5 Cg_endo -75.0 -160.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 58.07 -165.03 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.972 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.1 p -74.93 43.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.054 179.95 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 68' ' ' SER . . . 71.1 104.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.655 HG21 ' N ' ' A' ' 72' ' ' CYS . 1.4 m -106.9 -34.94 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.655 ' N ' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -134.4 14.77 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.267 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.563 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.07 -158.94 8.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.495 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 70.9 t -111.56 -1.44 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 0.771 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 74' ' ' VAL . 67.0 p 31.98 83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.645 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.41 132.83 49.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.572 ' C ' ' H ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -116.6 -8.74 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.233 -179.947 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.544 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 1.2 t 74.27 -29.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.14 -11.4 32.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.568 1.167 . . . . 0.0 110.991 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.478 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -127.79 -34.53 0.55 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.551 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -94.27 -101.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 166.42 -63.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.6 OUTLIER -162.21 167.15 24.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.803 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.0 p90 -151.03 153.79 35.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.445 1.09 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.695 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.52 3.58 31.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.238 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.803 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 9.83 103.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.756 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -129.66 106.76 8.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.417 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -157.39 170.92 34.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -48.76 97.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.45 ' HA ' ' HB3' ' A' ' 96' ' ' MET . . . -52.43 178.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.527 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 32.0 tt0 -118.64 -34.41 4.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.946 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.523 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 149.86 51.5 0.02 OUTLIER Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.523 ' O ' ' O ' ' A' ' 92' ' ' GLY . 1.8 m-20 55.35 153.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.458 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 65.62 -3.68 2.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -179.78 140.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.587 ' SD ' HG13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -147.8 -173.27 4.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.734 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.24 129.21 50.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.577 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.553 ' CD1' HG13 ' A' ' 86' ' ' ILE . 3.7 pt -140.03 138.19 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.564 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 1.6 p -136.92 168.08 20.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.563 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.5 OUTLIER -63.17 -43.08 99.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.414 ' SG ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -64.89 -26.26 68.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.294 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.485 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 2.9 t70 -81.83 169.69 16.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.859 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -73.11 119.14 16.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.995 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.564 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.9 pt -165.76 136.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.387 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.556 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.0 158.39 32.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.9 11.09 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.409 1.741 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.689 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 17.5 t90 71.68 -62.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 107.961 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.456 ' O ' HG22 ' A' ' 109' ' ' THR . 8.6 t70 -69.67 53.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.689 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.2 p -158.26 -54.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.689 ' C ' ' O ' ' A' ' 109' ' ' THR . 51.3 mt 8.55 -107.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 147.66 -39.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.617 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.29 -65.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.418 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.512 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 22.6 m -48.21 -27.4 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.465 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.703 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -82.92 -35.94 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.239 -179.979 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.461 ' HG3' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -67.74 -42.68 81.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.76 -18.12 58.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.653 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.63 -15.33 26.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.964 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 93.9 mt -72.62 -28.47 62.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.369 179.893 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.8 p -114.13 110.37 48.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.454 1.765 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 8.1 p -140.48 -132.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.514 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 33.97 84.49 0.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.628 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.43 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.0 Cg_endo -75.07 3.34 5.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 5.9 tp-100 -138.23 -43.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.7 mt-30 -65.39 -5.77 8.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.221 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.606 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.45 -36.19 24.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.929 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -88.43 1.74 54.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.8 m -111.43 -14.63 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.356 179.961 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.4 -39.13 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.754 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -52.97 170.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.21 11.8 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 10.8 p -165.7 93.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.677 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -103.15 119.4 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.521 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.6 OUTLIER -143.14 126.4 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.922 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.688 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.2 mtp180 -77.34 37.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 179.942 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.693 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.6 t -61.09 166.3 3.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 18.4 ptmt -123.1 120.2 32.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.603 1.189 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.593 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -91.76 101.2 13.8 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.1 m -101.86 -35.23 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.3 t -119.2 165.38 14.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.4 mp0 -147.82 -174.64 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -153.2 118.35 5.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.471 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 7.6 tt0 -77.67 94.96 4.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.924 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.415 HG23 ' NE2' ' A' ' 44' ' ' GLN . 15.5 m -105.32 109.57 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 109.377 179.941 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.498 ' N ' ' HZ1' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -54.49 154.13 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.381 -179.995 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.512 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.2 t -141.13 18.71 2.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 -179.969 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.406 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 73.6 178.7 37.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m120 -84.23 164.03 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.4 t0 -95.28 -161.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.52 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -80.12 0.14 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.391 179.895 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -107.98 -0.78 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.36 -8.71 76.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.484 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -78.35 153.03 79.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.261 -179.925 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 129.44 12.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.512 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 58.1 mt -65.88 -79.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.605 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 14.0 tppt? 69.11 124.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.597 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.86 66.53 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.936 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.37 149.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 -179.959 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.651 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.4 mm-40 -91.06 -178.97 5.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.895 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.2 70.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 -179.968 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.8 tt0 -65.02 66.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.57 1.168 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.693 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.5 pt -63.84 -170.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.936 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.61 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -128.38 10.22 6.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.61 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.1 tp-100 43.66 108.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.478 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -117.78 -26.16 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -158.0 167.36 30.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' PHE . 8.8 ptm -145.77 68.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.645 ' CE2' ' CD2' ' A' ' 118' ' ' LEU . 1.0 OUTLIER -37.1 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.938 -179.939 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -127.03 74.79 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -130.01 -163.26 11.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.42 ' HG3' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -74.98 -172.39 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.793 . . . . 0.0 111.053 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.23 -37.61 21.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.63 -86.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 2.1 t70 151.6 163.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.624 HG13 ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -118.77 75.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -70.08 -5.68 28.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.248 179.979 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.531 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 7.5 m-85 -134.87 92.37 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.594 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 0.4 OUTLIER -96.26 166.54 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.599 ' CE1' ' OE1' ' A' ' 44' ' ' GLN . 18.8 m-85 -117.26 147.41 42.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 111.065 179.953 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.63 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 5.4 t -164.77 -168.05 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.516 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -99.32 153.46 37.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.605 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.5 Cg_endo -74.92 -161.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.99 -175.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.934 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.548 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 6.7 t -45.6 -46.93 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 158.72 101.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.497 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -105.97 -41.13 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 99' ' ' THR . 24.6 m -126.72 25.37 6.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 108.206 -179.944 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.475 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -166.95 -160.13 13.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.49 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 74.2 t -112.59 -4.97 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 33.88 82.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.903 179.937 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.895 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -102.19 132.29 48.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.592 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -112.59 -11.08 13.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.952 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.592 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 2.6 t 73.98 -15.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.532 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -75.85 -12.14 84.13 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.462 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -128.59 -22.37 1.32 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.524 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -104.43 -97.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 109.358 179.92 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.518 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 162.93 -58.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.518 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -167.64 169.86 11.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.789 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.7 p90 -152.64 152.78 32.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.686 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.77 2.58 37.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.789 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.53 102.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.754 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -129.16 109.34 11.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -142.89 174.01 23.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -46.42 -28.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 82.6 175.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.555 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 6.7 tp10 -132.67 -10.78 3.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.3 -125.1 2.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -124.77 144.5 50.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.746 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 75.35 -3.69 46.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.154 . . . . 0.0 110.949 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.545 ' HA ' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -177.92 138.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 0.799 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.624 ' SD ' HG13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -133.34 -161.37 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.965 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.428 ' ND1' ' OE1' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -131.46 122.59 26.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.659 179.998 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.533 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.5 pt -138.02 134.74 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.548 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 1.3 p -135.12 167.99 19.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.475 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -63.93 -31.98 73.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -24.86 58.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 108.282 -179.988 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.41 ' O ' HG12 ' A' ' 104' ' ' ILE . 10.0 t0 -85.31 168.05 15.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.929 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -69.92 118.27 12.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.548 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.6 pt -164.93 134.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.555 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.48 158.84 32.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 -179.945 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.624 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 17.9 Cg_endo -75.04 10.92 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.688 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.8 t90 71.4 -61.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.029 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.453 ' O ' HG22 ' A' ' 109' ' ' THR . 46.1 t0 -70.45 52.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.39 179.944 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.659 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -157.08 -58.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.466 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.659 ' C ' ' O ' ' A' ' 109' ' ' THR . 56.1 mt 14.91 -107.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.654 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 146.37 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.947 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.622 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.03 -63.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.56 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 3.4 m -50.76 -22.9 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 -179.951 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.704 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -87.9 -34.73 18.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.324 179.981 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.531 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -70.19 -39.82 74.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.56 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.47 -14.82 45.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.43 -12.28 21.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.94 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.645 ' CD2' ' CE2' ' A' ' 53' ' ' PHE . 4.2 mt -86.87 1.71 51.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.999 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 4' ' ' SER . 1.7 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.464 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 23.4 p -94.53 112.4 57.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.2 7.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.458 1.767 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.578 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.3 p -148.6 -133.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.01 89.57 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.602 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.02 -29.09 8.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.477 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 4.1 tp-100 -108.58 -27.12 10.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -76.79 -9.33 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 179.991 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' A' ' 103' ' ' PHE . . . -83.13 -35.95 25.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.913 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -90.83 6.95 42.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.961 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.4 m -116.04 -7.94 11.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.412 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.3 OUTLIER -105.83 -39.25 6.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 179.936 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.713 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.04 171.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.67 14.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 8.6 p -166.4 88.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.588 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.96 118.19 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.533 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -142.15 125.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.624 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.9 ttp85 -77.19 40.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.617 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.5 t -62.73 176.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 14.2 ptmt -129.44 120.36 25.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.06 104.63 16.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.509 ' CG1' HG12 ' A' ' 78' ' ' VAL . 3.2 m -107.95 -35.28 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 5.4 t -115.31 161.27 18.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -143.42 -172.69 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 1.067 . . . . 0.0 110.245 -179.956 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.697 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.2 ttpt -154.86 118.24 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.496 ' CB ' HD13 ' A' ' 43' ' ' ILE . 2.7 tt0 -77.72 94.81 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 11.5 m -103.72 83.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.28 142.24 7.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.541 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.3 t -127.76 32.06 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.96 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 59.54 -170.45 6.09 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.2 m120 -84.02 165.66 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.594 0.82 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.8 t70 -95.97 -161.66 0.89 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.513 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.9 mp -80.92 0.39 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -107.42 -1.17 21.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.87 -8.52 77.63 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.6 p-10 -79.08 153.47 77.3 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.96 129.93 12.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.778 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 41' ' ' LYS . 40.7 mt -73.79 -94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.532 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 28.7 ttmt 71.94 123.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.619 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -130.0 73.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -40.23 153.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.697 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 11.8 mm-40 -94.08 -178.24 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.634 ' CZ ' ' CG2' ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.77 67.39 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.999 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.9 tt0 -62.15 70.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.628 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.2 pt -67.36 -173.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.1 ttpt -123.6 -2.51 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.482 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 57.17 123.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.518 HD12 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -132.65 -33.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -147.8 164.23 34.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.944 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.58 67.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.602 ' CD1' HD21 ' A' ' 118' ' ' LEU . 20.5 m-85 -39.7 -77.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.24 71.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.53 -157.61 9.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.04 -173.22 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.812 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -83.76 -36.92 23.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.382 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -85.03 -78.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.1 t70 154.64 171.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.49 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 2.0 mm -94.36 -72.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.599 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 73.57 -5.86 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -147.77 97.12 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.531 HD11 ' CG ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -107.86 169.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.622 ' CE2' ' OE1' ' A' ' 44' ' ' GLN . 5.0 m-85 -122.01 157.85 30.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.922 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.634 ' CG2' ' CZ ' ' A' ' 45' ' ' TYR . 8.9 t -174.9 -161.64 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.439 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -92.65 153.11 42.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' A' ' 68' ' ' SER . 18.4 Cg_endo -74.98 -61.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.577 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -38.87 168.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.641 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 11.1 p -37.9 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 -179.942 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.641 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 152.11 95.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.577 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.8 OUTLIER -106.96 -44.35 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.569 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 8.3 m -118.01 18.35 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 108.317 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.602 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -160.18 -157.54 8.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.456 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 88.3 t -112.4 -18.25 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.362 179.909 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.518 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 50.03 86.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.958 -179.967 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.667 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -104.55 132.17 51.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.531 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.32 -4.96 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.571 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 74.12 -53.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.98 -15.41 0.55 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.522 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -115.8 -33.02 1.61 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.522 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -105.34 -97.04 0.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.571 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.85 -77.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.408 1.068 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 12.1 mp0 -150.2 157.73 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.815 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.0 p90 -142.45 154.5 44.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.415 1.072 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.676 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.54 0.64 45.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.815 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.37 99.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.754 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -123.97 107.15 11.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -156.02 163.92 32.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -44.57 95.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.494 ' HA ' ' CB ' ' A' ' 96' ' ' MET . . . -50.48 -179.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 71.1 tt0 -120.13 -38.0 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.894 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.58 50.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.508 ' O ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 56.54 152.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.457 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 66.5 -3.22 3.71 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.42 1.075 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -179.62 140.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.531 ' CG ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.58 -170.73 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.963 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.31 125.92 37.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.382 1.051 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.519 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.9 pt -136.45 148.54 27.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.536 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.2 OUTLIER -145.57 166.66 25.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.369 179.989 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.602 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.1 pt? -60.37 -49.13 78.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 4.1 t -62.3 -21.21 65.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 108.323 179.992 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.4 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.3 t0 -84.01 167.85 16.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.913 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -72.09 116.59 12.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.945 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' A' ' 99' ' ' THR . 5.1 pt -163.15 136.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.236 179.961 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.519 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -158.85 155.99 25.86 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.568 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.97 7.91 2.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.444 1.76 . . . . 0.0 111.048 179.932 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.624 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 2.2 t90 74.95 -57.93 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 108.032 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.551 ' O ' ' CG2' ' A' ' 109' ' ' THR . 18.2 t70 -69.23 50.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 17.0 p -159.59 -49.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 110.402 -179.945 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.708 ' C ' ' O ' ' A' ' 109' ' ' THR . 46.4 mt 5.19 -107.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.639 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.9 m 148.06 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.627 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 157.57 -62.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 12.0 m -52.15 -25.81 9.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.39 1.056 . . . . 0.0 110.328 -179.966 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.691 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -82.22 -37.65 25.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.952 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.49 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -68.21 -43.36 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.969 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.463 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -63.57 -14.48 51.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.618 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -95.21 -25.89 16.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.602 HD21 ' CD1' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -63.07 -28.83 70.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.974 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 13.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 . . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.4 p -71.68 110.91 8.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 179.927 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.3 Cg_endo -75.0 86.09 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 111.025 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.552 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.8 p -108.25 -133.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER 40.01 88.04 0.1 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.02 -27.26 10.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.508 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 6.3 tp-100 -113.48 -28.99 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -73.04 -6.39 45.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.616 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -85.1 -35.52 21.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.88 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -91.15 6.14 46.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 m -115.17 -10.04 12.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.294 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.487 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.3 OUTLIER -104.42 -38.55 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.724 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.97 170.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.377 1.048 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.88 14.53 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 12.4 p -165.87 89.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.701 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -100.68 117.58 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.539 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -144.26 125.0 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.954 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.657 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.5 ttp180 -76.16 39.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.659 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.5 t -60.12 168.67 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.349 -179.964 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.2 ptmt -123.12 120.37 33.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.47 98.42 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.493 ' CG1' HG12 ' A' ' 78' ' ' VAL . 6.7 m -101.5 -34.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -116.34 164.76 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.936 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.453 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 2.8 mp0 -150.13 -175.36 5.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.631 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.1 ttpt -153.27 113.48 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.501 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.7 tt0 -74.93 93.92 2.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.937 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.8 m -100.94 80.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.07 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.59 140.97 2.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.516 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.7 t -127.45 30.96 5.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.954 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.71 -170.26 6.45 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.547 1.154 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.6 m-80 -83.69 164.71 19.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.6 t0 -95.19 -161.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.886 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.505 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -80.9 -0.0 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -107.09 -1.17 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.59 -7.5 80.76 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.6 p-10 -79.97 154.06 75.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.99 129.18 12.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 41' ' ' LYS . 34.3 mt -73.0 -94.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.481 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 20.4 ttmt 71.18 121.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.653 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -125.04 68.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 -179.951 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -38.57 145.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.653 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 9.1 mm-40 -87.84 179.55 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.654 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -137.56 68.64 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.51 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.6 tt0 -63.34 69.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.659 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.5 pt -66.07 -167.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.65 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.5 ttpt -133.11 13.29 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.65 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.3 tp-100 40.75 109.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.472 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -118.08 -25.9 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -154.01 165.61 35.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.408 ' HG3' ' CG2' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -146.82 64.28 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 111.029 179.961 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CE2' ' CD2' ' A' ' 118' ' ' LEU . 15.8 m-85 -39.94 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.528 ' C ' ' CE ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -123.39 73.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.955 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.403 ' HA2' HG21 ' A' ' 17' ' ' VAL . . . -129.04 -157.44 9.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -171.95 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.425 1.75 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -92.73 -34.78 13.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 110.251 -179.996 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.71 -80.44 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.536 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t0 153.67 170.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.511 HG13 ' SD ' ' A' ' 96' ' ' MET . 1.3 mm -102.37 -74.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.554 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 75.05 -8.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.26 179.966 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -147.54 96.74 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.56 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.3 OUTLIER -106.3 167.61 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.992 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.63 ' CE1' ' OE1' ' A' ' 44' ' ' GLN . 5.6 m-85 -118.52 150.52 39.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.654 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 4.9 t -165.1 -172.69 2.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.463 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.497 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -101.32 147.42 33.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.566 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.05 -160.25 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER 56.61 -171.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -68.87 54.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.96 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 56.08 96.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.95 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.5 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -103.16 -32.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.5 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 14.0 m -133.39 11.63 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 -179.965 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.587 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -151.95 -155.54 7.07 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.893 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.491 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 73.9 t -112.88 -3.76 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 0.8 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.511 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 35.56 84.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.982 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.635 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.81 128.75 53.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.571 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.55 -9.0 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.96 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.571 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 1.8 t 74.01 -18.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.561 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -72.8 -9.75 75.63 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.493 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -131.65 -31.25 0.51 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.554 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -96.95 -99.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.528 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 164.59 -68.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -157.84 163.23 38.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.782 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.8 p90 -147.14 151.79 37.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.683 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.42 2.72 31.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.167 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.782 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.95 99.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.754 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -125.39 106.35 9.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.408 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -140.68 172.51 23.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 3.1 tttm -45.79 -31.11 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.486 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . 82.43 179.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.587 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -131.08 -37.49 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 171.48 -132.39 2.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.13 134.93 54.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.94 1.89 75.08 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.574 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -173.16 139.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 0.778 . . . . 0.0 109.342 179.92 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.587 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -139.85 -160.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 -179.995 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.2 125.87 22.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.187 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.512 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.5 pt -139.66 139.98 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.516 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -138.62 165.15 27.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.132 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.587 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.2 pt? -58.51 -46.23 87.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 1.7 t -62.32 -32.6 73.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 108.327 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.426 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.0 t0 -73.99 165.49 25.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.88 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.59 116.39 10.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 111.063 179.999 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.516 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.0 pt -163.36 134.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -154.05 157.15 32.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.589 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.6 Cg_endo -74.94 10.47 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.657 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 1.8 t90 72.24 -59.77 0.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 107.977 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.5 ' O ' ' CG2' ' A' ' 109' ' ' THR . 67.2 t0 -68.33 51.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.671 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.4 p -158.72 -56.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.671 ' C ' ' O ' ' A' ' 109' ' ' THR . 72.0 mt 13.31 -106.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.66 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 145.54 -41.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.11 -63.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.392 179.935 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.625 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 16.7 m -51.54 -23.19 3.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.183 . . . . 0.0 110.454 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.712 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -85.97 -37.96 18.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 110.346 -179.979 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.493 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.3 OUTLIER -65.95 -42.11 90.41 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.625 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -60.11 -21.27 61.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.937 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.648 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.54 -12.24 35.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.055 179.982 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.527 ' CD2' ' CE2' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -85.43 -5.35 59.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.922 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.542 ' C ' ' OD1' ' A' ' 119' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -99.86 115.14 65.82 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 89.03 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.529 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.1 p -112.81 -132.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.7 OUTLIER 35.83 82.82 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.581 179.966 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.434 ' HB2' ' NE2' ' A' ' 114' ' ' GLN . 18.1 Cg_endo -75.03 8.63 2.34 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.9 OUTLIER -142.0 -45.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.629 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -61.68 -8.59 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.599 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -81.67 -34.04 30.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -91.01 6.73 43.63 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.8 m -116.57 -10.18 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.968 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.629 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -103.4 -38.79 7.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.633 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -52.82 167.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -149.27 15.39 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.586 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 12.2 p -164.96 82.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.543 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.08 120.52 45.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.544 HG13 ' CG2' ' A' ' 21' ' ' THR . 1.8 pt -145.45 125.09 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.572 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 2.6 ttm180 -77.49 41.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.954 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.624 HG22 ' CE1' ' A' ' 84' ' ' TYR . 1.4 t -64.32 173.05 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 11.7 ptmt -125.06 119.43 28.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -95.37 101.02 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.499 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 17.0 m -106.94 -35.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.3 t -111.78 159.23 18.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 110.016 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.0 mp0 -146.76 -179.13 6.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.686 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.3 ttpt -148.24 116.12 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 15.4 tt0 -76.04 98.23 4.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.426 HG23 ' NE2' ' A' ' 44' ' ' GLN . 30.8 m -113.11 103.55 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.941 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.25 156.49 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.431 ' OG ' HG22 ' A' ' 40' ' ' ILE . 1.5 t -138.2 15.5 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.13 179.75 50.76 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.498 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.4 m120 -83.44 162.3 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.79 . . . . 0.0 109.378 179.93 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.7 t0 -94.69 -161.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.52 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.19 1.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.39 -1.22 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.37 -8.55 76.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.571 1.169 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.498 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.1 p-10 -79.21 153.57 76.99 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 130.26 13.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.431 HG22 ' OG ' ' A' ' 31' ' ' SER . 87.0 mt -69.06 -82.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HG2' ' HG3' ' A' ' 67' ' ' PRO . 15.2 ttmm 70.98 128.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.63 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -133.24 65.6 1.58 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.596 1.185 . . . . 0.0 110.284 -179.962 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.456 HG13 ' HA ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -36.63 151.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.686 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.4 mm-40 -92.02 177.61 6.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.923 ' HH ' ' N ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -134.65 67.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 -179.965 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.542 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 8.6 tt0 -63.12 69.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.292 -179.924 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.604 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.3 pt -66.77 -171.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.4 OUTLIER -125.83 0.27 7.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER 52.01 114.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.476 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -124.6 -31.15 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -147.93 161.57 41.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -145.23 71.28 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.943 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE2' ' CD1' ' A' ' 118' ' ' LEU . 21.8 m-85 -42.78 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.586 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -126.83 73.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.52 -159.07 9.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.442 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.0 Cg_endo -75.05 179.45 6.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.54 -34.54 35.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 -179.968 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.11 -80.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.8 t70 153.68 171.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.962 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.491 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.6 mm -97.24 -72.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.57 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.09 -8.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.959 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.542 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -148.03 99.0 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.525 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -106.31 170.21 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.593 ' CE2' ' OE1' ' A' ' 44' ' ' GLN . 6.0 m-85 -124.54 147.67 48.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.645 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 10.1 t -164.98 -164.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.485 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -99.81 155.04 36.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.511 ' HG3' ' HG2' ' A' ' 41' ' ' LYS . 18.5 Cg_endo -74.98 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.541 1.811 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.61 -176.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.608 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 41.6 t -46.33 -41.99 14.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.608 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 155.24 114.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.613 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -118.62 -46.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.613 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 4.2 m -114.95 10.19 16.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.36 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.553 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -155.32 -153.47 6.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.486 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 93.6 t -116.31 -4.08 11.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.495 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 34.92 86.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.994 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.923 ' N ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -103.85 131.25 51.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.578 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -111.16 -10.09 14.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.578 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 1.1 t 75.79 -45.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -55.84 -9.66 2.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.484 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -122.37 -28.24 1.51 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.524 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -108.51 -96.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.634 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 167.81 -75.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.634 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 16.0 mp0 -154.48 154.79 33.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.794 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 1.9 p90 -134.49 154.27 51.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.69 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.33 3.21 36.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.794 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.42 99.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 -179.941 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.83 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -122.7 108.92 13.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.464 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -141.14 179.59 19.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.559 1.162 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.1 mtpp -54.24 -30.45 50.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 84.39 178.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.531 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.0 tp10 -137.37 -42.96 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.595 ' O ' ' O ' ' A' ' 95' ' ' LYS . . . 165.37 126.89 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.593 ' C ' ' O ' ' A' ' 92' ' ' GLY . 1.5 m-20 -24.84 134.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.451 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 86.05 -3.92 86.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.454 1.096 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.595 ' O ' ' O ' ' A' ' 92' ' ' GLY . 0.1 OUTLIER -176.54 140.83 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.531 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -146.3 -170.01 3.4 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.568 1.167 . . . . 0.0 111.08 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.433 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -128.15 128.21 44.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.608 179.972 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.503 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.1 pt -140.33 142.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.552 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -140.02 170.58 15.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.553 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.6 OUTLIER -65.21 -44.23 89.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.935 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -22.27 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.957 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -84.69 167.86 15.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.875 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -72.36 117.21 13.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.586 1.179 . . . . 0.0 110.989 -179.964 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.552 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.2 pt -163.13 134.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.498 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -156.04 156.88 30.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.641 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.03 12.1 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.558 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.8 t90 70.36 -61.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.456 ' O ' HG22 ' A' ' 109' ' ' THR . 15.4 t70 -69.49 51.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 179.955 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.3 p -157.36 -57.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 -179.937 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.679 ' C ' ' O ' ' A' ' 109' ' ' THR . 40.0 mt 9.87 -105.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.624 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.9 m 149.3 -42.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.024 -179.997 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.563 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.73 -67.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.427 1.079 . . . . 0.0 110.471 -179.99 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 1.4 m -49.68 -26.21 3.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.949 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.665 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -80.01 -37.11 34.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.512 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.7 OUTLIER -68.41 -46.68 69.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.983 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.474 ' O ' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -62.19 -17.32 57.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.506 ' HB3' ' CB ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -102.34 -21.45 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.05 179.935 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.609 ' CD1' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -90.91 -16.69 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 116' ' ' LYS . 46.9 p30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.464 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 2.8 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.3 p -141.0 114.86 7.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.442 ' CB ' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.05 73.35 4.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 8.2 p -83.31 -133.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.556 ' CB ' ' CG ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER 33.41 91.85 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.597 179.974 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HB2' ' NE2' ' A' ' 114' ' ' GLN . 18.5 Cg_endo -74.96 1.08 8.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 6.2 tp-100 -137.46 -41.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.556 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.29 -9.41 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.628 ' O ' ' CD2' ' A' ' 103' ' ' PHE . . . -82.79 -33.64 27.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.869 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -91.05 3.8 53.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.388 1.055 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -112.67 -10.96 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 108.253 -179.966 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.459 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -102.12 -41.78 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.731 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -52.68 173.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 88' ' ' GLY . 4.4 m-20 -153.17 16.75 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.403 1.064 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.555 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 14.0 p -164.45 83.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.674 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -97.27 119.56 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.555 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.1 pt -146.6 124.06 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.62 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 13.6 ttp180 -76.1 41.33 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.619 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.5 t -62.42 170.2 2.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 110.435 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.9 ptmt -123.76 118.76 27.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.088 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -92.78 96.31 10.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.468 ' CG1' ' HE2' ' A' ' 22' ' ' LYS . 11.2 m -101.09 -34.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.507 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -115.53 163.78 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.8 mp0 -150.64 -179.18 7.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.624 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.7 ttpt -145.0 111.85 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.54 ' HA ' HD13 ' A' ' 43' ' ' ILE . 17.7 tt0 -73.26 94.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.437 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 23.2 m -111.59 122.69 66.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.249 -179.935 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.96 155.93 39.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 31' ' ' SER . 3.0 t -137.86 23.73 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' ILE . . . 76.41 -179.51 48.44 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.9 m-20 -84.5 163.89 19.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.9 t0 -96.12 -161.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.531 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -80.95 0.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -109.19 -0.22 19.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.34 -9.5 72.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -77.35 153.72 81.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.52 0.776 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.94 12.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.548 1.815 . . . . 0.0 110.969 -179.942 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' GLY . 55.9 mt -66.08 -86.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' N ' HG21 ' A' ' 40' ' ' ILE . 18.5 ttmm 74.55 128.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.994 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.694 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -131.18 65.36 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 110.257 -179.915 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.54 HD13 ' HA ' ' A' ' 28' ' ' GLU . 1.2 mp -35.77 142.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.694 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.7 mm-40 -84.59 178.01 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.885 ' HH ' ' N ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.58 68.22 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.4 tt0 -62.83 69.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.619 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.0 pt -65.79 -168.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.655 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -131.82 14.39 4.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.655 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.3 tp-100 38.14 107.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.202 179.915 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.53 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -116.93 -27.62 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.957 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' O ' ' HB ' ' A' ' 19' ' ' ILE . 1.8 tttt -150.7 165.16 34.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.2 ptp -146.21 66.44 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.561 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 17.0 m-85 -42.61 -79.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -124.37 73.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.08 -157.45 9.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.407 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -74.96 -173.99 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.12 -35.33 21.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -84.5 -78.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.363 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 153.94 171.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.496 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.5 mm -97.58 -71.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.543 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 3.1 mt-10 73.19 -8.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.538 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.0 m-85 -144.97 95.98 2.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.513 HD11 ' CG ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -102.22 167.0 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.643 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.7 m-85 -123.48 145.39 48.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 111.07 179.922 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.593 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 9.7 t -161.57 -167.54 1.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.438 179.981 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -103.8 150.94 38.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.527 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -159.94 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.051 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.56 -159.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.045 -179.981 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.542 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 28.4 t -82.06 29.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 86.85 96.46 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -102.52 -36.6 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 99' ' ' THR . 48.0 m -132.69 22.92 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 108.275 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.499 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -158.06 -159.08 9.35 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.529 ' O ' ' C ' ' A' ' 75' ' ' SER . 78.9 t -111.84 0.02 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.529 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.3 OUTLIER 28.2 81.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 180.0 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.885 ' N ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -102.62 129.44 49.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.242 -179.915 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.567 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -106.43 -7.83 17.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.543 HG21 ' O ' ' A' ' 82' ' ' LYS . 2.5 t 69.83 -52.7 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.7 -15.62 0.16 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.489 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.35 -30.0 1.81 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.567 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -102.21 -94.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.564 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 168.99 -85.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.934 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.59 ' O ' ' O ' ' A' ' 106' ' ' PRO . 8.1 mp0 -151.12 149.82 29.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.789 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.0 p90 -127.04 154.12 45.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.697 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -85.23 5.41 30.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.943 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.789 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 8.4 102.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.759 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -125.36 109.71 13.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' ASP . . . -140.0 -178.15 16.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.076 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -60.24 -14.6 18.7 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.491 0.76 . . . . 0.0 109.267 -179.94 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.55 ' HA ' ' CB ' ' A' ' 96' ' ' MET . . . 71.13 -177.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.539 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 12.7 tp10 -128.95 -41.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.534 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.14 55.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.534 ' O ' ' O ' ' A' ' 92' ' ' GLY . 1.3 m-20 54.69 155.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.59 0.818 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 63.53 -4.08 1.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -179.71 143.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.55 ' CB ' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -147.41 -171.47 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.932 -179.977 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.62 128.04 44.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.543 -179.942 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.537 ' CD1' ' CG1' ' A' ' 86' ' ' ILE . 6.3 pt -138.43 137.9 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.543 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 5.0 p -139.42 163.17 33.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.397 179.936 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.525 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.1 OUTLIER -63.66 -22.54 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.33 -24.45 29.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.442 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.9 t0 -87.27 172.78 9.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.869 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -72.5 118.54 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.961 -179.965 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.543 ' CD1' ' O ' ' A' ' 99' ' ' THR . 5.9 pt -164.89 136.99 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.463 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -157.94 156.53 28.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.59 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.4 Cg_endo -75.03 9.98 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.62 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 2.0 t90 71.84 -58.28 0.59 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 108.051 -179.961 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.524 ' O ' ' CG2' ' A' ' 109' ' ' THR . 51.6 t0 -68.57 51.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 10.8 p -159.16 -51.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.932 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.708 ' C ' ' O ' ' A' ' 109' ' ' THR . 53.2 mt 5.88 -106.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.665 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.2 m 143.83 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 -179.944 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.611 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.88 -61.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.987 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.574 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.0 m -51.53 -23.71 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.719 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -87.46 -37.64 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.972 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.467 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.2 mtmt -67.31 -39.88 85.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.574 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.15 -14.08 33.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.591 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.86 -10.53 22.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 110.005 -179.988 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.561 HD23 ' CZ ' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -86.46 2.42 47.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.364 -179.981 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -179.969 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.42 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 95.0 p -90.07 125.45 60.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.456 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.0 Cg_endo -75.06 96.23 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.449 1.763 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.586 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.4 p -119.57 -132.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 38.45 82.01 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.59 -180.0 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 1.72 7.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.399 1.736 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.503 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.0 OUTLIER -135.94 -43.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.956 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.432 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -65.33 -6.37 9.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 103' ' ' PHE . . . -84.2 -34.22 23.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.893 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.7 OUTLIER -92.49 9.53 34.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m -119.42 -10.1 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.075 . . . . 0.0 108.325 -179.959 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.413 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.6 OUTLIER -104.48 -40.02 6.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.721 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.35 173.74 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -152.88 16.71 0.57 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 12.0 p -165.82 84.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.588 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -97.9 116.72 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.922 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.548 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -142.18 126.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.652 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.8 mtm180 -78.36 38.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.593 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.6 t -60.72 171.96 1.04 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 16.1 ptmt -124.47 119.48 29.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' O ' HG22 ' A' ' 78' ' ' VAL . . . -94.6 99.05 11.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.6 m -103.49 -35.33 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.522 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.5 t -113.97 163.12 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.606 1.191 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -145.38 -174.1 4.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.96 119.05 5.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.496 ' CB ' HD13 ' A' ' 43' ' ' ILE . 17.3 tt0 -78.4 93.51 4.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 12.2 m -102.75 99.69 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.527 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -49.7 147.56 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.517 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.2 t -133.86 16.12 3.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.29 -174.63 37.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.474 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.9 m-20 -83.7 165.19 19.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 0.786 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.2 t0 -95.63 -161.16 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.502 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -81.51 0.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -108.46 -1.19 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.2 -8.75 77.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.474 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.3 p-10 -78.58 154.96 78.83 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 129.26 12.11 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 -179.965 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.517 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 48.1 mt -70.21 -83.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.542 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.21 122.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.588 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 3.2 ptt180 -130.87 71.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.414 1.071 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.496 HD13 ' CB ' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -43.57 149.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.0 mm-40 -89.45 -175.3 4.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.704 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -137.26 69.36 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.984 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.522 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.5 tt0 -62.7 68.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.609 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.1 pt -67.48 -175.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.377 179.931 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 49' ' ' GLN . 1.6 ttpt -119.39 -5.1 10.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.515 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 15.4 mm100 53.55 109.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -119.21 -33.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.471 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -144.92 160.72 40.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.489 ' O ' ' CG ' ' A' ' 52' ' ' MET . 2.0 ptt? -141.58 69.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.652 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -36.46 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 111.026 179.964 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 18' ' ' VAL . 3.7 tptt -128.1 73.85 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -122.89 -166.15 12.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.383 1.052 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.498 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.01 -172.29 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.88 -32.31 13.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.649 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -72.58 -77.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.397 1.06 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.649 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.7 t70 144.32 163.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 -179.906 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.498 HD12 ' CG ' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -105.22 -77.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.515 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 73.77 -7.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 110.284 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.565 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -143.99 98.85 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 179.992 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.533 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -103.85 172.44 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -122.93 156.04 35.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 111.059 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.704 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 4.9 t -176.63 -170.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.451 -179.949 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.506 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -88.16 155.48 52.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.542 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.6 Cg_endo -74.91 -60.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 111.044 179.952 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.534 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.5 OUTLIER -41.76 170.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.553 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 13.6 p -35.68 -40.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.553 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 159.43 89.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.534 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.7 OUTLIER -96.82 -38.84 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.585 ' O ' ' HA ' ' A' ' 99' ' ' THR . 15.3 m -129.55 25.39 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 108.211 -179.888 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.525 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -165.21 -158.15 10.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.088 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.511 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 64.3 t -114.97 -11.92 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.526 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 38.23 80.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.634 HD12 ' CD2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.47 131.04 49.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.506 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.6 p30 -104.17 -7.75 19.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 23' ' ' ALA . 3.3 t 70.13 -52.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.84 -11.95 0.4 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -120.25 -23.65 2.88 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -110.66 -92.0 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 109.366 179.913 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 168.33 -86.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.57 ' O ' ' O ' ' A' ' 106' ' ' PRO . 8.0 mp0 -150.96 147.33 27.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.808 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 1.8 p90 -124.64 154.88 40.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.699 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.67 4.19 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.933 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.808 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.08 102.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.721 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -128.48 108.98 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.427 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -143.11 174.04 23.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -44.19 -34.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.78 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.547 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 81.16 176.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.521 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.1 tp10 -134.31 5.3 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.24 -119.31 2.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.92 142.88 49.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 77.4 -1.49 65.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.83 137.99 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 109.329 -179.971 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.547 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -142.81 -168.82 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.909 -179.964 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.85 130.83 45.75 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 0.0 109.551 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 64' ' ' TYR . 14.1 pt -142.27 137.2 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.585 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -135.3 160.96 36.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 110.466 179.995 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.525 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.4 pt? -54.83 -49.02 72.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 6.7 t -60.77 -31.32 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 108.324 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.458 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.6 t0 -73.9 166.99 22.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.893 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -70.83 118.07 13.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 179.983 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.512 ' CD1' ' O ' ' A' ' 99' ' ' THR . 4.0 pt -165.66 135.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.526 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -156.44 155.82 29.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.58 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.0 11.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.573 1.828 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.643 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 11.0 t90 71.02 -59.09 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.509 ' O ' ' CG2' ' A' ' 109' ' ' THR . 21.2 t0 -68.81 51.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.684 ' O ' ' C ' ' A' ' 110' ' ' LEU . 6.5 p -159.19 -54.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.684 ' C ' ' O ' ' A' ' 109' ' ' THR . 49.2 mt 8.66 -107.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.9 m 145.94 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.613 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.68 -64.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.17 . . . . 0.0 110.433 179.989 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.526 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 18.4 m -48.15 -22.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.703 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -89.12 -36.15 15.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.965 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.551 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -68.27 -39.03 82.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.58 -24.91 66.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -88.84 -11.91 43.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.958 -179.943 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.645 ' CD2' ' CE2' ' A' ' 53' ' ' PHE . 10.8 mt -84.65 -0.4 53.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.986 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 101' ' ' CYS . 1.6 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.7 p -121.34 107.2 37.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 179.982 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 126.82 10.17 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.545 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 9.9 p -153.77 -134.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.545 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.4 OUTLIER 32.28 85.38 0.15 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.075 . . . . 0.0 109.599 179.985 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.46 4.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.567 1.825 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' OE1' ' HE2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -137.83 -45.06 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -63.06 -7.21 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.601 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.86 -33.2 27.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.877 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -92.58 7.84 41.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.967 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.9 -8.66 10.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 108.271 179.98 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.447 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -105.45 -39.22 6.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.943 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.767 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.77 171.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -151.43 16.52 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.594 HG13 ' CB ' ' A' ' 90' ' ' ALA . 11.2 p -164.95 84.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.674 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -98.05 119.27 45.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.955 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.539 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -145.74 125.46 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.245 -179.992 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.674 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.0 mtp180 -77.58 41.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 110.351 179.958 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.63 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.3 t -63.35 169.93 3.35 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.96 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 15.1 ptmt -124.02 120.64 33.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.11 105.38 17.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.501 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 3.8 m -108.89 -37.45 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.52 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -111.83 164.29 13.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.9 mp0 -149.84 -177.98 6.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.9 ttpt -148.52 111.94 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HA ' HD13 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -74.37 93.52 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.441 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 32.6 m -109.0 101.84 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.63 151.28 14.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.9 t -132.8 24.01 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.44 -177.07 40.83 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.2 m-80 -84.67 163.51 19.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.376 0.692 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.7 t0 -95.11 -161.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.505 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -81.2 -0.46 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.228 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -107.18 -1.37 21.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.09 -8.65 77.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.43 1.081 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -78.14 152.37 79.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 0.793 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.21 11.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.449 HG23 ' OG ' ' A' ' 31' ' ' SER . 24.4 mt -66.75 -89.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.503 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 20.6 ttmm 73.02 126.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.67 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -129.96 66.44 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.984 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.535 HD13 ' HA ' ' A' ' 28' ' ' GLU . 1.1 mp -37.2 143.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.67 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.9 mm-40 -85.22 178.82 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.205 -179.883 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.552 ' O ' ' N ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -136.23 67.68 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.063 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.52 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.5 tt0 -62.51 69.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.605 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.4 pt -67.56 -174.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 49' ' ' GLN . 10.0 ttpt -120.58 -3.78 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.494 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 14.2 mm100 52.95 111.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 179.94 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.433 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -119.5 -33.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.544 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -144.87 162.27 37.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -142.36 66.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.954 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.672 ' CE2' ' CD2' ' A' ' 118' ' ' LEU . 1.1 m-85 -35.0 -80.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.566 ' C ' ' HD2' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -127.93 73.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.21 -161.35 11.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.98 -179.943 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.445 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.5 Cg_endo -74.96 -173.56 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.558 1.82 . . . . 0.0 110.999 179.947 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -91.74 -33.37 15.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.597 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.53 -85.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.944 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.597 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.5 t70 158.53 166.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.489 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.7 OUTLIER -106.69 -80.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.237 -179.997 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.2 mt-10 72.85 -8.18 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.544 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -141.85 91.58 2.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.551 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -99.86 172.07 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.643 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 8.8 m-85 -123.76 157.99 32.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.547 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 5.8 t -172.26 -168.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.505 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.1 150.8 39.2 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.503 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.02 -159.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 55.9 -170.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 0.0 109.969 179.991 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.9 p -69.33 54.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 56.12 100.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.505 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -109.13 -38.69 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.51 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 19.9 m -124.69 18.87 8.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.986 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.485 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -158.81 -158.09 8.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.522 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 21.9 t -111.37 2.3 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.509 ' C ' ' O ' ' A' ' 74' ' ' VAL . 86.3 p 29.91 84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.061 -179.954 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.62 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.59 133.89 49.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.483 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -123.38 0.24 8.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.56 -54.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.173 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.64 -12.44 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -118.77 -32.14 1.35 Allowed Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.527 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -108.4 -94.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 0.765 . . . . 0.0 109.375 179.91 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.52 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.25 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.532 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -154.94 162.73 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.8 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.5 p90 -147.72 152.29 37.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.696 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.33 4.07 28.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.8 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.77 100.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.398 -179.958 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.767 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -125.24 107.3 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.238 -179.906 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' LYS . . . -143.35 168.35 26.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.574 1.171 . . . . 0.0 110.961 179.942 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.8 tttm -39.41 -34.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.594 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . 84.31 175.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.547 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 10.5 tp10 -131.53 1.56 4.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.84 -123.2 3.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.75 142.69 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.476 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 80.43 -6.8 59.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -173.11 145.53 1.35 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.551 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.24 -169.75 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.981 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.69 131.11 51.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 -179.972 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.512 ' CD1' HG13 ' A' ' 86' ' ' ILE . 12.3 pt -141.57 136.11 31.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.557 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 5.5 p -135.18 159.07 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.51 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -59.5 -25.93 64.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -78.54 -33.93 47.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.997 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.431 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.0 t0 -76.69 171.67 14.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.877 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -71.76 119.17 15.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.939 -179.972 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.557 ' CD1' ' O ' ' A' ' 99' ' ' THR . 4.2 pt -165.43 136.81 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.516 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -156.88 156.79 30.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.951 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.634 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.98 11.44 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.674 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 14.4 t90 71.62 -61.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 107.981 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.499 ' O ' HG22 ' A' ' 109' ' ' THR . 24.7 t0 -69.74 52.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.695 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.9 p -158.83 -52.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.695 ' C ' ' O ' ' A' ' 109' ' ' THR . 45.7 mt 5.77 -106.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.889 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.645 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 147.03 -42.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 159.88 -63.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.925 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.509 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 21.2 m -50.16 -21.53 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.715 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.1 -36.05 15.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.52 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -68.75 -39.83 80.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.509 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.62 -20.45 63.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.55 -11.14 32.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.038 -179.995 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.672 ' CD2' ' CE2' ' A' ' 53' ' ' PHE . 3.8 mt -88.15 1.17 54.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.965 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.8 p -132.71 127.94 20.66 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.411 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.0 Cg_endo -75.06 109.02 2.85 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.468 1.772 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.497 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 8.7 p -129.42 -134.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.604 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 33.98 91.01 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.606 179.959 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.458 ' CB ' ' NE2' ' A' ' 114' ' ' GLN . 18.1 Cg_endo -74.99 -7.81 19.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.646 ' NE2' ' HE3' ' A' ' 116' ' ' LYS . 1.5 tt0 -134.91 -44.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.7 mt-30 -58.06 -11.53 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 7' ' ' HIS . . . -82.38 -36.53 26.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.886 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -87.01 -2.73 58.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.929 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -106.44 -15.52 14.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.248 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.65 -38.73 10.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.992 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.696 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.65 170.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 88' ' ' GLY . 15.5 m-20 -152.84 17.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.489 HG11 ' O ' ' A' ' 88' ' ' GLY . 7.1 p -166.3 81.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.592 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.48 120.62 44.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.525 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.8 OUTLIER -143.76 127.62 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.71 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 23.1 mtp180 -77.74 36.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.66 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.7 t -58.8 168.7 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.4 ptmt -126.43 118.91 25.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -90.55 104.12 16.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.545 ' CG1' HG12 ' A' ' 78' ' ' VAL . 2.4 m -106.16 -34.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.923 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.568 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.3 t -109.36 169.95 8.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 110.057 179.908 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.527 ' HG3' ' CG2' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -154.61 151.38 28.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.253 -179.989 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.712 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.5 ttpt -124.46 105.26 9.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 2.1 tt0 -72.6 92.41 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.936 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.427 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 32.7 m -106.03 126.13 61.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.66 161.06 30.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.457 ' OG ' HG23 ' A' ' 40' ' ' ILE . 6.9 t -145.28 17.68 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.92 177.48 49.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.589 1.18 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.478 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.7 m120 -84.25 162.57 20.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.3 t0 -93.97 -162.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.526 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -80.54 0.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -108.16 -1.16 20.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.7 -8.76 76.49 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.5 p-10 -78.83 153.22 77.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 129.57 12.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.457 HG23 ' OG ' ' A' ' 31' ' ' SER . 43.3 mt -63.8 -80.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.659 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 10.7 tppt? 70.62 124.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.643 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.38 64.41 1.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.527 ' CG2' ' HG3' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -35.13 144.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.712 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mm-40 -89.34 -179.95 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.623 ' CZ ' ' CG2' ' A' ' 65' ' ' THR . 0.6 OUTLIER -136.49 69.43 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.568 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.1 tt0 -64.74 68.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.917 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.66 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.4 pt -64.82 -171.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -124.51 1.91 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.383 179.953 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.501 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 53.17 113.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.408 HD11 ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -121.91 -33.34 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.511 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -151.98 166.0 32.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.935 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.82 72.07 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.71 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 2.5 m-85 -43.79 -72.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -131.65 160.82 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.462 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 130.65 -139.65 11.12 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.14 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.52 ' CB ' ' CG ' ' A' ' 93' ' ' ASP . 18.5 Cg_endo -74.96 -165.17 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.454 1.765 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -108.25 -34.53 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.65 -85.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.9 t70 160.22 163.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.643 HG13 ' SD ' ' A' ' 96' ' ' MET . 0.5 OUTLIER -120.21 72.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.47 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -71.52 -4.56 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 5.6 m-85 -134.42 91.58 2.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 179.939 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.611 HG21 ' HG3' ' A' ' 96' ' ' MET . 0.5 OUTLIER -97.81 169.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 7.8 m-85 -123.64 154.44 39.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.623 ' CG2' ' CZ ' ' A' ' 45' ' ' TYR . 9.7 t -168.55 -161.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.485 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -107.84 152.74 41.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.659 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.1 Cg_endo -75.04 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.454 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.3 OUTLIER 63.26 -162.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 179.987 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 30.4 t -82.4 33.88 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 86.58 90.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.351 -179.943 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.485 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -101.54 -28.71 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 99' ' ' THR . 10.8 m -138.29 16.49 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.525 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -153.76 -151.88 5.89 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.511 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 82.9 t -118.62 -0.76 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 74' ' ' VAL . 84.2 p 31.67 87.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 179.949 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.641 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -106.32 130.99 54.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.567 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -119.41 -8.1 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.383 179.938 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.567 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 1.6 t 74.02 -15.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.53 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -77.39 -9.97 86.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.481 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -130.33 -33.4 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -97.01 -101.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.509 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.63 -71.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.516 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -153.98 159.04 41.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.814 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 4.4 p90 -144.35 151.51 39.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.692 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.73 3.01 30.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.21 -179.907 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.814 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.64 105.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.957 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.766 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -129.4 112.39 13.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 16' ' ' ASP . . . -140.07 179.2 19.2 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.414 1.071 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 13.4 tttt -57.21 -28.28 62.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 0.821 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.557 ' HA ' ' CB ' ' A' ' 96' ' ' MET . . . 86.65 173.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.573 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 4.5 tt0 -122.14 -39.26 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.227 -179.946 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.14 52.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.159 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.604 ' C ' ' H ' ' A' ' 95' ' ' LYS . 1.5 t0 56.34 157.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.486 ' C ' ' HG3' ' A' ' 95' ' ' LYS . . . 66.83 -14.7 0.37 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.565 1.166 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.604 ' H ' ' C ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -174.14 139.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.609 0.829 . . . . 0.0 109.246 -179.924 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.643 ' SD ' HG13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -140.29 -172.27 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.939 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 120.64 32.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.937 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.529 ' CD1' HG13 ' A' ' 86' ' ' ILE . 4.9 pt -131.8 132.61 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.525 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -132.73 163.9 27.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.525 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.6 OUTLIER -55.98 -43.85 77.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.432 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -64.47 -33.23 75.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 108.295 -179.946 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.457 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 2.8 t70 -73.97 168.3 19.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.886 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -72.18 116.03 12.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.519 ' CD1' ' O ' ' A' ' 99' ' ' THR . 5.6 pt -162.96 132.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.522 ' O ' ' CB ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -154.69 158.79 32.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.647 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 12.14 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.794 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.476 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 19.4 t90 70.57 -62.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.058 -179.928 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 106' ' ' PRO . 31.0 t0 -70.6 52.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -156.03 -55.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.975 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.682 ' C ' ' O ' ' A' ' 109' ' ' THR . 43.8 mt 8.95 -106.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.31 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.937 179.994 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.627 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 157.11 -60.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 -179.962 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.643 ' CG2' ' HE2' ' A' ' 116' ' ' LYS . 23.0 m -54.52 -25.88 28.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.452 -179.965 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.708 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -82.15 -34.97 28.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.938 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.506 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.5 OUTLIER -70.13 -45.3 67.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.646 ' HE3' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.35 -9.87 13.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.515 ' HB3' ' HB2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -107.7 -26.35 10.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.633 HD13 ' CE1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -79.59 -20.32 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.94 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.592 ' C ' ' OD1' ' A' ' 119' ' ' ASN . 4.7 p30 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 3' ' ' CYS . 1.3 p 52.75 26.32 4.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -49.98 177.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.349 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -119.57 109.54 38.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.98 131.37 14.24 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.537 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 9.2 p -155.05 -133.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.537 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.75 85.58 0.15 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.619 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -74.97 2.53 6.51 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.421 1.748 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.487 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.4 OUTLIER -139.72 -44.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.498 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.6 mt-30 -63.87 -5.24 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.599 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.03 -37.64 23.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.882 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.8 m-85 -87.01 -4.74 59.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 1.2 m -103.55 -15.12 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.338 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.28 -41.65 8.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.727 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.92 174.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' OD2' ' CZ ' ' A' ' 122' ' ' TYR . 0.5 OUTLIER -153.44 15.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 4.3 p -166.46 86.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.579 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.4 t -97.15 117.29 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.573 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -141.43 125.13 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.608 ' CZ ' ' CZ3' ' A' ' 107' ' ' TRP . 3.5 ttm180 -78.15 41.46 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.637 HG22 ' CE1' ' A' ' 84' ' ' TYR . 1.3 t -64.56 171.9 2.99 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 16.3 ptmt -126.12 120.08 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -90.89 108.1 19.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.487 ' CG1' HG12 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -110.08 -36.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.509 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -115.74 165.02 13.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.041 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.1 mp0 -149.44 -176.42 5.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.4 ttpt -149.7 111.88 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.579 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 3.0 tt0 -74.09 92.08 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.463 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 34.0 m -107.68 114.8 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.51 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.6 m-20 -56.76 160.13 3.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.47 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.3 t -144.05 16.77 1.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.414 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 78.12 177.64 48.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.052 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m120 -85.0 162.56 19.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.37 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.2 t0 -93.69 -161.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.523 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -81.63 0.64 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.61 -0.61 20.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.58 -8.36 77.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.454 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.33 152.69 78.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.27 13.13 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.458 1.767 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.47 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 64.3 mt -66.43 -79.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.579 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.1 tppt? 69.52 126.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.666 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -131.41 67.52 1.51 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -39.14 140.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.666 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 5.8 mm-40 -82.24 -179.76 7.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.363 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.86 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.44 69.12 1.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.945 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.509 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.9 tt0 -64.43 67.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.404 1.065 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.632 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.6 pt -64.61 -174.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 8.5 ttpt -120.47 -5.2 9.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER 56.7 113.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.481 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -123.23 -30.47 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -149.46 160.85 43.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.7 ptt? -145.8 70.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.585 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 37.9 m-85 -44.73 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.579 ' O ' ' N ' ' A' ' 18' ' ' VAL . 9.7 tptt -124.68 158.96 31.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.465 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 129.04 -143.36 14.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.429 1.081 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.438 ' CD ' HG21 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -74.98 -171.17 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -99.49 -33.7 10.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 110.244 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -72.84 -84.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.1 t70 153.61 165.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.378 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.522 ' CG2' ' HG2' ' A' ' 96' ' ' MET . 0.6 OUTLIER -117.7 74.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -66.94 -8.93 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.9 m-85 -131.35 91.96 3.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.518 HD11 ' CG ' ' A' ' 96' ' ' MET . 0.4 OUTLIER -96.09 168.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.626 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 7.4 m-85 -122.08 145.78 47.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.635 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 7.6 t -162.69 -168.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.482 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -99.06 154.66 37.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.567 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo -75.02 -161.01 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.549 1.815 . . . . 0.0 111.061 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.3 -169.84 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 110.066 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.645 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 1.9 t -56.19 -36.72 68.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.943 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.645 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 151.88 103.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -105.67 -39.06 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.512 ' O ' ' CG2' ' A' ' 99' ' ' THR . 15.4 m -132.35 26.75 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.324 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.488 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -162.21 -158.19 9.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.486 ' O ' ' C ' ' A' ' 75' ' ' SER . 84.4 t -116.08 -1.41 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER 32.39 84.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 110.041 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.86 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -103.91 133.37 49.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.479 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -121.09 1.8 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.1 t 71.36 -55.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.84 -10.61 4.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.443 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.44 -18.43 4.5 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.504 ' O ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -125.65 -94.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.515 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.17 -85.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.581 ' O ' ' O ' ' A' ' 106' ' ' PRO . 6.5 mp0 -145.75 156.42 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.826 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.8 p90 -141.63 151.86 43.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.694 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.42 3.39 28.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.826 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.94 105.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.74 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -132.33 112.45 12.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 90' ' ' ALA . . . -145.43 172.58 26.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.27 -29.01 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.573 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 79.26 176.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.533 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.3 tp10 -137.02 9.91 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.95 -120.58 3.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.443 1.089 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.19 143.05 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.45 -3.67 58.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.589 1.181 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -172.43 139.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.573 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -144.32 -171.95 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 111.052 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.422 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -122.84 128.48 50.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.544 ' CD1' HG13 ' A' ' 86' ' ' ILE . 4.6 pt -141.71 133.86 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.534 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -137.36 165.32 26.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.376 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.488 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -60.14 -45.8 91.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.48 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -64.62 -15.86 61.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 108.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 11.0 t0 -93.38 171.26 9.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.882 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -72.69 116.05 12.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.534 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.5 pt -165.21 132.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.77 157.26 32.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.6 Cg_endo -74.94 5.32 4.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.048 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.608 ' CZ3' ' CZ ' ' A' ' 20' ' ' ARG . 5.1 t90 77.6 -57.33 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.538 ' O ' ' CG2' ' A' ' 109' ' ' THR . 22.7 t70 -70.03 51.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.683 ' O ' ' C ' ' A' ' 110' ' ' LEU . 17.3 p -158.89 -56.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.683 ' C ' ' O ' ' A' ' 109' ' ' THR . 49.9 mt 10.63 -107.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 146.55 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.64 -65.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.367 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 50.8 m -49.8 -27.27 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.732 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -83.19 -31.09 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.479 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.7 OUTLIER -74.36 -42.18 59.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.455 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -62.55 -21.75 65.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.657 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.37 -14.01 29.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.585 HD23 ' CZ ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -75.66 -23.94 56.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -73.93 -37.74 64.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.595 ' CE1' ' O ' ' A' ' 117' ' ' SER . 0.2 OUTLIER -66.07 142.76 57.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.549 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -57.04 -70.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.611 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.3 OUTLIER -156.51 88.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.461 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 1.5 tt0 65.38 63.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.499 ' HB2' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -70.9 54.46 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 111.04 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 58.02 23.09 50.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -62.85 76.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.052 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -96.07 164.32 12.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 108.318 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.475 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 74.9 p -83.48 116.71 65.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.507 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.02 81.96 2.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.576 1.83 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.603 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.7 p -102.53 -133.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.5 OUTLIER 40.55 85.15 0.17 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.567 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.8 8.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.516 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.7 OUTLIER -137.13 -46.97 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.49 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -57.53 -10.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.633 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -81.74 -34.48 30.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.883 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -90.43 4.75 50.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.958 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.3 m -113.22 -12.45 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.321 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.49 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -101.57 -38.57 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.655 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.19 169.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.195 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -150.85 16.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.537 HG13 ' CB ' ' A' ' 90' ' ' ALA . 12.1 p -165.95 82.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.528 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -95.69 120.04 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.536 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.1 pt -145.45 126.01 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.676 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 6.4 mtp180 -77.84 42.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.618 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.3 t -63.84 175.02 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.374 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 14.7 ptmt -128.1 120.16 26.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.589 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.79 104.03 15.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.52 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 3.5 m -107.64 -36.6 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -112.15 162.89 14.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 110.067 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.88 -174.89 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.641 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.8 ttpt -153.07 115.04 4.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 6.4 tt0 -75.92 91.1 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.443 HG23 ' NE2' ' A' ' 44' ' ' GLN . 23.3 m -102.46 105.85 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.436 ' N ' ' HZ1' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -52.9 151.32 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.5 t -137.33 22.18 2.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 109.955 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.96 -179.35 31.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.8 m-20 -84.26 164.39 19.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.74 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.21 -161.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.235 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.516 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -80.99 0.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -108.27 -0.2 20.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.99 -7.92 78.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.475 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -79.2 153.96 77.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 129.25 12.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.43 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 50.7 mt -66.14 -81.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.649 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 11.1 tppt? 71.17 124.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.354 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.651 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.81 65.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.29 145.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.651 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 8.0 mm-40 -86.57 -178.73 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.667 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -137.93 67.59 1.42 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 9.8 tt0 -63.02 68.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.618 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.8 pt -65.24 -176.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.509 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.1 ttpt -122.24 -0.67 9.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.509 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.41 124.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.444 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -132.7 -32.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.396 1.06 . . . . 0.0 109.273 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.569 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -149.92 168.25 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.03 70.25 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CE2' ' CD2' ' A' ' 118' ' ' LEU . 1.0 OUTLIER -39.54 -76.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 110.99 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -130.03 66.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.4 -156.33 9.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.431 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 -174.4 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.54 1.811 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.43 -35.76 19.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -82.75 -79.09 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.9 t70 154.82 171.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.486 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.7 mm -96.71 -72.2 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.585 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER 74.53 -7.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.252 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.544 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.2 m-85 -147.85 98.97 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.545 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -108.5 169.46 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.359 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.631 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.2 m-85 -123.48 148.47 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.667 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.8 t -165.34 -167.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.491 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -98.08 154.59 37.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.649 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.05 -164.0 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 111.065 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.25 -169.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.603 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 24.2 p -54.11 -41.52 68.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.603 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 155.35 109.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.549 HG21 ' N ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -113.45 -42.11 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.549 ' N ' HG21 ' A' ' 71' ' ' VAL . 17.8 m -122.26 12.31 10.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.553 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.84 -156.22 7.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.482 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 89.0 t -114.74 -3.96 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 35.86 85.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.605 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.71 131.4 50.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 109.264 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.514 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -116.0 -2.86 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.579 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.3 t 72.69 -54.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.14 -13.02 0.9 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.551 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.3 -31.36 1.7 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.551 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -109.01 -96.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.257 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.579 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.7 -83.66 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.58 ' O ' ' O ' ' A' ' 106' ' ' PRO . 3.3 mp0 -147.22 152.01 37.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.808 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.2 p90 -134.62 154.48 51.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.696 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.72 3.16 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.808 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.88 102.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.833 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -127.59 110.56 12.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -143.56 177.44 22.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.565 1.166 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -47.48 -31.58 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.537 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . 78.6 174.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.3 tp10 -134.4 7.17 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.6 -120.48 3.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.45 146.19 52.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 73.22 0.61 53.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.84 143.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.545 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.96 -169.15 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.416 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -129.61 128.24 42.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.532 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.3 pt -140.04 142.34 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.513 ' OG1' ' HB2' ' A' ' 102' ' ' ASP . 0.7 OUTLIER -139.44 166.22 25.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.553 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.1 pt? -61.01 -50.3 73.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.48 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 6.1 t -61.8 -16.47 50.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.513 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.3 t0 -88.46 167.74 13.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.883 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.68 113.2 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 111.022 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 100' ' ' LEU . 7.4 pt -161.85 131.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -151.96 157.29 34.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.596 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.89 10.29 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.576 1.829 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.676 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 13.4 t90 71.94 -58.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.038 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.515 ' O ' ' CG2' ' A' ' 109' ' ' THR . 37.9 t70 -69.7 52.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.685 ' O ' ' C ' ' A' ' 110' ' ' LEU . 6.2 p -159.36 -55.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.685 ' C ' ' O ' ' A' ' 109' ' ' THR . 47.4 mt 8.2 -107.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 147.87 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.052 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.605 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 159.36 -67.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 110.475 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.516 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 5.2 m -47.66 -26.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.701 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -83.23 -32.65 26.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.518 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -72.71 -41.34 65.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.431 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -63.92 -18.55 64.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.3 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.612 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.14 -12.49 30.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.919 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.617 ' CD2' ' CE2' ' A' ' 53' ' ' PHE . 27.2 mt -75.46 -27.69 59.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -91.49 -17.3 25.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.375 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.528 ' CG ' ' HB3' ' A' ' 124' ' ' MET . 0.0 OUTLIER -86.74 41.74 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.568 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER 55.13 -98.77 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 110.318 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.595 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 31.6 p90 -148.83 5.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.595 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.2 OUTLIER 171.26 45.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.528 ' HB3' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.48 55.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 61.13 19.13 56.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.952 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.435 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -57.44 -176.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.9 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 59.49 10.77 2.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.7 t -59.23 171.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 108.327 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -104.06 112.21 65.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.049 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 125.86 9.64 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.465 1.771 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.4 p -151.05 -131.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 37.86 84.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.576 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.87 8.33 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 113' ' ' THR . 0.4 OUTLIER -137.46 -43.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.9 mt-30 -65.25 -4.96 5.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.615 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.31 -37.07 23.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.857 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.9 m-85 -87.97 2.19 52.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 2.7 m -111.55 -14.83 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 108.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.53 -39.82 8.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.738 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -55.07 172.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -150.23 14.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 10.4 p -165.71 89.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.677 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -100.61 120.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.543 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -145.86 125.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.669 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.8 mtp180 -76.76 37.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.637 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.1 t -60.64 165.93 3.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.486 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 17.7 ptmt -120.8 120.32 35.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.584 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.34 103.53 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 3.5 m -107.31 -34.2 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.528 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -115.77 165.37 13.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -149.44 -174.01 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.338 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.687 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.9 ttpt -155.25 116.89 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' CB ' HD13 ' A' ' 43' ' ' ILE . 9.7 tt0 -77.56 92.37 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.5 m -103.89 119.31 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.87 158.55 15.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.485 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.3 t -145.3 19.25 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.957 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 74.7 177.72 39.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.491 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.1 m120 -84.73 163.07 19.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.246 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.3 t0 -94.29 -161.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.523 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -80.83 0.68 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -108.58 0.02 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.47 -8.51 74.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -78.54 153.35 78.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 129.85 12.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.539 1.81 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.485 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 42.9 mt -65.41 -78.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.665 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.3 tppt? 69.47 125.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.654 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -130.67 65.74 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.473 HD13 ' CB ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -35.28 150.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.687 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.7 mm-40 -92.49 178.96 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.61 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.06 69.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 13.5 tt0 -63.48 67.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.606 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -65.94 -173.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.615 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.7 ttmt -122.81 9.57 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.615 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.0 mm100 37.4 103.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.486 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -112.75 -32.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.543 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -145.23 163.6 33.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 52' ' ' MET . 2.1 ptp -144.17 69.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.578 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -36.34 -79.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.952 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -127.89 73.72 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.45 ' HA2' HG21 ' A' ' 17' ' ' VAL . . . -124.01 -162.77 11.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.415 ' HD3' HG21 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.02 -175.44 2.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.87 -33.06 14.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.636 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -72.12 -78.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.636 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.2 t70 146.13 165.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.527 HG23 ' CG ' ' A' ' 96' ' ' MET . 0.8 OUTLIER -109.67 -79.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.505 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER 76.9 -10.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 1.5 m-85 -141.37 94.04 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.093 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.551 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -99.94 168.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.64 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.2 m-85 -120.7 149.25 42.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.61 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.3 t -163.73 -164.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.399 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.516 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -102.81 152.61 38.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.665 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.4 Cg_endo -74.96 -160.05 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.43 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 61.78 -161.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.544 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 44.5 t -81.53 30.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 87.63 97.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.596 1.185 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.534 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -107.26 -36.0 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.539 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 8.4 m -124.62 8.8 8.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.567 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.55 -153.79 6.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.557 1.16 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.504 ' O ' ' C ' ' A' ' 75' ' ' SER . 81.9 t -113.49 -0.6 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.504 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 30.71 83.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.932 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.652 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.17 141.7 35.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -125.41 0.49 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 3.1 t 68.57 -56.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -49.36 -14.59 0.58 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.452 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -116.07 -24.23 3.96 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.08 -91.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.92 -59.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.4 OUTLIER -172.71 168.02 5.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.241 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.798 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.2 p90 -152.08 153.84 34.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.679 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.54 1.48 41.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.798 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.23 99.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.738 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -125.23 106.39 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 90' ' ' ALA . . . -139.67 165.7 25.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.608 1.193 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 2.3 tttm -39.2 -31.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 83.86 179.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.565 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -133.26 -41.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 174.29 -141.44 5.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.577 1.173 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -106.96 129.23 54.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 0.764 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 84.99 -2.36 88.35 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -170.26 139.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.616 0.833 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.565 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -136.75 -157.66 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -143.05 125.62 15.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.491 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.0 pt -139.35 145.49 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.216 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.549 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.7 OUTLIER -141.32 164.42 30.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.567 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -59.89 -41.68 92.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.52 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -66.77 -31.29 71.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 108.3 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.493 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.3 t0 -74.68 167.89 20.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.857 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.1 117.25 12.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.549 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.1 pt -164.4 134.36 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.574 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.47 158.16 32.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.6 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.03 10.41 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.669 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 15.9 t90 72.26 -60.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 107.986 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.498 ' O ' HG22 ' A' ' 109' ' ' THR . 16.1 t0 -69.28 53.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.674 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.4 p -159.05 -56.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.674 ' C ' ' O ' ' A' ' 109' ' ' THR . 55.3 mt 11.13 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.177 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 146.14 -40.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.38 -64.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.47 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 23.1 m -49.84 -27.07 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.739 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -83.42 -33.66 25.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.493 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.5 OUTLIER -72.67 -41.44 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.513 ' NZ ' ' ND1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -62.43 -20.28 64.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.643 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.37 -13.39 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.537 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 45.4 mt -71.05 -30.03 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -93.27 3.28 55.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.682 ' CD2' ' CB ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -83.43 8.04 15.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.574 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.82 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.825 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 5.0 p90 -166.08 95.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.457 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 2.3 tt0 53.36 56.32 7.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.682 ' CB ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.2 54.08 0.29 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 57.19 26.6 56.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.468 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 0.7 OUTLIER -57.5 -169.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 71' ' ' VAL . 17.4 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.66 33.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.14 168.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.207 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -120.62 124.07 27.76 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.914 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -75.04 118.27 5.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.525 1.803 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.511 ' CG2' ' H ' ' A' ' 7' ' ' HIS . 8.2 p -139.49 -132.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.511 ' H ' ' CG2' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 35.89 88.45 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.02 -5.33 16.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -134.91 -42.61 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.348 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.434 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 5.1 mt-30 -63.49 -5.81 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.597 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.16 -38.07 22.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.863 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.8 m-85 -86.42 -2.67 58.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.417 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 0.8 OUTLIER -104.64 -17.31 14.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.297 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.6 -37.94 10.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.728 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -57.23 174.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 88' ' ' GLY . 5.2 m-20 -157.1 16.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 6.3 p -165.69 80.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.363 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.579 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.2 118.75 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.527 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.21 123.69 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.625 ' NH1' ' CZ2' ' A' ' 107' ' ' TRP . 6.4 mtm180 -75.67 40.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.703 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.0 t -62.3 175.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.8 ptmt -129.54 120.04 24.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.601 1.188 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.578 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.28 98.6 11.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.403 1.064 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.49 ' CG1' HG12 ' A' ' 78' ' ' VAL . 3.0 m -99.24 -40.46 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.0 t -112.03 167.36 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.455 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.5 mp0 -148.38 -176.84 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.697 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -150.25 114.05 5.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.478 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 7.1 tt0 -75.56 93.2 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 m -103.67 124.78 58.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.14 158.56 30.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.437 ' HB2' ' NE ' ' A' ' 42' ' ' ARG . 3.0 t -146.2 19.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.427 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 75.48 178.65 43.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.48 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.4 m-20 -83.98 162.7 20.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.14 -161.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.539 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.4 mp -80.6 0.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.75 0.3 20.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.168 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.3 -8.18 75.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.48 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.9 p-10 -79.34 155.11 76.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.539 0.788 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 129.69 12.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.431 HG23 ' HB3' ' A' ' 31' ' ' SER . 54.6 mt -64.23 -79.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.632 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 13.3 tppt? 70.8 123.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.658 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -128.86 64.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -34.69 148.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.697 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.6 mm-40 -92.02 -178.99 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.882 ' HH ' ' N ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.93 69.12 1.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.6 tt0 -62.08 71.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.703 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.6 pt -67.15 -169.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -130.29 2.84 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.514 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 52.18 112.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.484 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -122.14 -27.88 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -155.68 166.74 32.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.8 ptm -146.12 71.85 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.621 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -41.72 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.37 66.19 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.6 -156.82 10.28 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -92.62 -35.5 13.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -80.89 -80.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 6.1 t0 155.64 170.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.375 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.472 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -101.02 -69.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.177 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.588 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.3 mt-10 71.81 -6.8 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.607 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -150.03 100.34 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.533 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -106.1 166.27 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.633 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 20.1 m-85 -118.01 149.84 40.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.579 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 5.0 t -165.5 -166.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.539 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.14 151.05 39.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.632 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -74.93 -158.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.476 1.777 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 54.18 -170.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.0 p -70.35 53.56 0.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HB3' ' N ' ' A' ' 75' ' ' SER . . . 58.58 101.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.242 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.436 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 0.7 OUTLIER -107.31 -35.1 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 99' ' ' THR . 68.3 m -131.02 17.21 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.352 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.525 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -153.06 -155.61 7.21 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.436 1.085 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.516 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 64.8 t -113.87 0.02 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 74' ' ' VAL . 28.9 p 30.61 81.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.937 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.882 ' N ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -103.02 133.2 48.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.377 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.556 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -117.21 -10.42 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.562 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 2.0 t 73.34 -15.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.555 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -76.95 -5.64 84.86 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.529 1.143 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.497 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -133.33 -31.99 0.4 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.522 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -98.77 -100.87 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.781 . . . . 0.0 109.37 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 170.04 -75.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.579 ' O ' ' O ' ' A' ' 106' ' ' PRO . 16.4 mp0 -153.07 159.7 42.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.791 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.3 p90 -139.99 154.12 47.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.693 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.54 3.83 34.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.791 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.72 103.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.737 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -129.34 112.42 13.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 16' ' ' ASP . . . -145.43 -177.83 20.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -52.58 -28.49 21.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.545 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 77.33 174.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.525 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.3 tp10 -134.3 6.73 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.85 -119.73 3.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -131.77 144.49 50.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.6 -2.92 61.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.607 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.69 147.29 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.545 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -149.86 -169.5 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.5 131.55 52.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.528 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.512 ' CD1' HG13 ' A' ' 86' ' ' ILE . 12.6 pt -144.49 137.38 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.565 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.7 OUTLIER -138.45 161.22 37.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.431 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.525 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.6 OUTLIER -56.15 -45.41 79.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.439 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -63.28 -32.15 73.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.474 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.6 t0 -75.14 169.23 18.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.271 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.863 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -71.9 117.27 13.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.565 ' CD1' ' O ' ' A' ' 99' ' ' THR . 4.9 pt -165.18 133.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.468 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.02 157.73 31.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.579 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.2 Cg_endo -75.02 8.61 2.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.625 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 13.5 t90 73.61 -58.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 107.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.506 ' O ' ' CG2' ' A' ' 109' ' ' THR . 12.1 t0 -69.82 51.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.3 p -158.82 -56.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.682 ' C ' ' O ' ' A' ' 109' ' ' THR . 35.6 mt 9.18 -108.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.3 m 148.12 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.06 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.27 -66.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.488 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 3.5 m -48.91 -25.89 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.735 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -84.14 -33.02 24.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.46 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -73.35 -41.5 63.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.421 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -61.85 -19.36 62.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.721 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.31 -5.16 50.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.997 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.521 HD21 ' CD2' ' A' ' 53' ' ' PHE . 55.4 mt -81.38 -27.66 34.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -98.82 -10.34 23.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.691 ' CD2' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -91.29 32.14 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.625 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 120' ' ' HIS . 2.5 mmt-85 67.43 -105.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.541 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 39.3 p90 -157.19 12.73 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.7 OUTLIER 174.71 52.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.578 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.94 53.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 49.66 21.96 3.74 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.41 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.7 OUTLIER -56.57 -168.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.255 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 168.11 60.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -98.84 162.05 13.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 108.273 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.467 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 79.1 p -88.9 130.7 43.81 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 110.019 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.444 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.7 Cg_endo -74.87 85.77 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.617 1.851 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.575 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.9 p -104.26 -133.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.52 86.64 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.591 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.04 -20.9 16.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.569 1.826 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.511 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.4 OUTLIER -120.42 -42.17 2.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.4 mt-30 -63.13 -5.32 3.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.587 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.74 -38.89 20.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.92 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -87.24 3.35 46.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.938 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 1.3 m -112.17 -15.56 13.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 108.249 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.56 -39.74 8.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.736 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.6 173.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -151.34 14.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 11.0 p -165.75 89.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.661 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -100.57 116.11 43.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.546 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -141.63 125.8 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.596 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -77.73 42.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.627 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.5 t -64.81 175.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.8 ptmt -128.93 120.62 26.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.26 108.25 19.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.502 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 2.4 m -111.95 -35.98 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -115.39 164.92 13.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.98 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.7 mp0 -149.8 179.6 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.0 ttpt -144.74 111.78 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.517 ' HG2' ' CE ' ' A' ' 41' ' ' LYS . 4.0 tt0 -74.04 92.35 2.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.491 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 30.0 m -108.78 112.3 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.518 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.1 m-20 -56.59 160.77 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.5 t -143.74 17.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.973 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 77.98 176.68 46.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.2 m120 -84.26 162.41 20.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.744 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -93.92 -161.64 0.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.515 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.9 mp -80.56 0.4 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -107.91 -1.22 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.7 -8.39 77.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.481 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -78.19 151.71 78.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.556 0.797 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 129.06 12.01 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 31' ' ' SER . 73.0 mt -65.57 -80.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.537 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 17.6 tppt? 68.87 126.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.658 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.49 68.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.51 141.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.658 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 6.7 mm-40 -83.23 179.77 7.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.354 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.566 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.28 69.63 1.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.0 tt0 -63.62 68.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.627 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.0 pt -65.26 -173.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.546 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.2 ttpt -125.22 1.52 7.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.546 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 54.94 125.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.513 HD13 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -134.32 -34.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.7 tttt -146.67 162.44 38.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 ptm -144.26 65.13 1.3 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.599 ' CD1' HD21 ' A' ' 118' ' ' LEU . 43.6 m-85 -41.82 -80.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -121.16 69.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.418 ' HA2' HG21 ' A' ' 17' ' ' VAL . . . -128.8 -160.24 10.24 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD3' HG21 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.95 -174.28 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.408 1.741 . . . . 0.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.77 -33.49 14.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -78.44 -80.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.2 t70 151.94 169.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.483 HG23 ' CG ' ' A' ' 96' ' ' MET . 1.3 mm -102.38 -71.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.554 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.3 -8.24 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.61 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -149.36 97.49 2.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.575 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -103.56 170.11 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.708 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -120.87 146.48 46.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 111.032 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.566 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 9.2 t -161.71 -160.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.351 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.493 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -109.04 153.38 42.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.221 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.537 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.01 -158.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 59.71 -161.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.995 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 26.1 t -81.13 30.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.949 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 88.38 94.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.551 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -107.16 -28.13 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.551 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 4.5 m -133.99 12.03 3.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.597 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.63 -153.11 6.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 75' ' ' SER . 78.0 t -114.94 0.33 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 0.776 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 74' ' ' VAL . 32.7 p 33.36 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.595 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.45 135.68 45.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.499 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -124.83 0.46 8.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.564 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.5 t 71.83 -54.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.44 -10.58 2.11 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.438 ' C ' ' HD3' ' A' ' 81' ' ' LYS . . . -119.75 -25.83 2.49 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -117.23 -94.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.564 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.88 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.8 mp0 -146.78 160.6 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.798 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.1 p90 -146.69 153.43 40.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.692 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.64 2.72 32.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.798 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.94 100.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.736 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -125.76 108.29 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.36 172.27 23.92 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -45.1 -28.73 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 0.813 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.445 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . 79.29 178.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.58 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.6 tp10 -132.51 -37.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.96 -135.69 3.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.421 ' N ' ' HE2' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -111.43 134.26 53.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.13 -5.89 69.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.61 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -168.84 144.11 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.746 . . . . 0.0 109.283 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.58 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -141.21 -158.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.708 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -138.99 124.84 19.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.546 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.501 ' CD1' HG13 ' A' ' 86' ' ' ILE . 1.9 pt -138.82 151.36 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.532 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.2 OUTLIER -148.71 164.3 34.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 110.417 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.597 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -59.65 -50.73 72.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.453 ' O ' ' NE2' ' A' ' 7' ' ' HIS . 5.7 t -61.15 -19.25 61.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 108.263 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.42 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 10.0 t0 -86.79 167.86 14.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.92 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -70.77 115.79 10.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.4 pt -165.09 132.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.501 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.72 156.56 32.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.559 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.13 5.36 4.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.563 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 3.1 t90 78.06 -57.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 107.976 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.545 ' O ' ' CG2' ' A' ' 109' ' ' THR . 25.9 t0 -69.9 50.65 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 18.1 p -159.08 -57.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.679 ' C ' ' O ' ' A' ' 109' ' ' THR . 45.0 mt 11.84 -107.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.83 -41.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.589 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.63 -65.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 35.2 m -49.78 -26.41 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.713 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -83.43 -33.08 25.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.47 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -73.25 -41.1 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.372 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.437 ' O ' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.83 -20.28 65.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.641 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.89 -12.83 26.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.599 HD21 ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -75.1 -28.41 60.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.389 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 120' ' ' HIS . 0.7 OUTLIER -75.48 -34.81 60.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.625 ' CD2' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -65.76 131.47 46.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.569 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -79.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.79 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 8.6 p90 -157.31 95.24 1.46 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.541 ' H ' ' CD2' ' A' ' 120' ' ' HIS . 1.1 tt0 64.01 64.95 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.401 ' HB2' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -71.95 54.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.03 23.36 15.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -168.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.8 OUTLIER 157.01 42.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.094 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.65 176.35 1.17 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.461 1.1 . . . . 0.0 108.37 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.0 p -123.52 113.06 29.18 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 130.73 13.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.524 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 8.4 p -154.7 -133.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.524 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 35.05 88.59 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.645 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 2.34 6.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.787 . . . . 0.0 110.996 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.471 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 9.9 tp-100 -137.8 -42.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.515 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.61 -7.14 9.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.605 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.2 -32.54 26.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.87 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.4 m-85 -92.0 -3.1 56.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 5.6 m -105.01 -9.77 17.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 108.282 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -103.75 -41.33 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.75 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.51 173.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER -154.22 16.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.516 HG13 ' CB ' ' A' ' 90' ' ' ALA . 13.7 p -165.6 82.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.592 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -96.01 119.07 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.537 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.56 123.78 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.639 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.3 mtp180 -75.07 39.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.662 HG22 ' CE1' ' A' ' 84' ' ' TYR . 1.8 t -60.59 173.51 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 16.2 ptmt -129.18 118.8 22.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -90.43 103.43 16.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.452 HG13 ' CG1' ' A' ' 78' ' ' VAL . 1.2 m -104.72 -35.58 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.174 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.472 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.9 t -117.24 169.43 9.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.044 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.2 mp0 -150.65 -177.43 5.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.635 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.9 ttpt -148.79 110.59 4.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' CG ' ' HE3' ' A' ' 41' ' ' LYS . 8.1 tt0 -74.19 90.06 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.44 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 34.3 m -103.23 125.29 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.38 160.06 28.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.495 ' OG ' HG23 ' A' ' 40' ' ' ILE . 9.4 t -146.22 19.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.59 177.07 46.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.503 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 6.1 m-20 -83.6 163.35 20.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t70 -94.48 -161.6 0.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.521 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -80.82 1.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.54 -1.09 19.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.62 -8.21 78.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.503 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.1 p-10 -79.31 154.86 76.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 131.16 13.87 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.456 1.766 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.495 HG23 ' OG ' ' A' ' 31' ' ' SER . 96.5 mt -64.74 -81.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.23 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.641 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.7 tppt? 72.96 124.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.674 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -129.84 66.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -37.61 143.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.674 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.9 mm-40 -86.64 -178.66 6.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.658 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.4 OUTLIER -137.03 66.02 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.54 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.8 tt0 -61.29 74.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.659 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.3 pt -69.12 -168.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.579 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -129.98 7.1 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.579 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 49.07 114.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.464 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -122.76 -27.54 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.549 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -156.36 169.13 25.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.474 ' CE ' ' O ' ' A' ' 56' ' ' PRO . 0.4 OUTLIER -146.7 68.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 118' ' ' LEU . 0.6 OUTLIER -40.19 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.568 1.167 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -129.79 65.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 109.32 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.11 -157.89 10.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.474 ' O ' ' CE ' ' A' ' 52' ' ' MET . 18.2 Cg_endo -75.1 -172.89 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.79 -34.92 15.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.43 -79.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.3 t70 153.5 170.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.482 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -101.83 -72.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.3 mt-10 73.73 -8.0 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.595 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -149.23 99.58 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.944 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.523 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -103.24 170.13 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.758 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -121.8 151.88 40.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.658 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.0 t -167.59 -159.35 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.536 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -110.42 152.66 43.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.641 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo -75.01 -160.33 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.33 -170.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t -71.1 55.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 75' ' ' SER . . . 58.54 102.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.536 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -111.59 -32.23 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.387 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.536 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 8.7 m -128.38 7.75 5.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.564 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -147.21 -151.75 5.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.531 ' O ' ' C ' ' A' ' 75' ' ' SER . 94.1 t -117.59 6.6 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.531 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER 28.05 86.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.931 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.667 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -106.56 132.8 52.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.461 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -120.87 2.9 10.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 2.7 t 68.33 -57.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -56.25 -10.45 3.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.427 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -118.66 -18.33 4.85 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -121.77 -88.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 0.8 . . . . 0.0 109.345 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 160.76 -68.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.542 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -165.75 162.12 18.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.358 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.813 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 3.1 p90 -146.7 151.91 37.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.689 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.39 3.89 29.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.813 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.96 103.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.75 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -128.44 111.68 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' ASP . . . -144.98 -175.53 18.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.7 mtpt -53.29 -36.41 61.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 0.789 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.527 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 84.47 173.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.525 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.4 tp10 -132.21 4.18 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.74 -120.53 3.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.7 140.83 49.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.422 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 81.16 -3.8 74.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.93 143.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.527 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -145.13 -168.7 3.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.758 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -128.83 128.29 43.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.583 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 64' ' ' TYR . 4.9 pt -140.47 145.18 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.544 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -141.74 163.7 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.422 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.564 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.6 OUTLIER -58.51 -46.15 87.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.206 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.449 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -62.68 -31.86 72.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 108.324 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.439 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.5 t0 -73.95 167.85 20.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.87 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -71.03 118.08 13.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.544 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.5 pt -165.38 134.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.74 158.47 32.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.602 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.0 10.81 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.639 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 18.3 t90 71.07 -59.87 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 107.961 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.473 ' O ' HG22 ' A' ' 109' ' ' THR . 33.4 t70 -69.72 52.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.681 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.7 p -157.73 -55.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.681 ' C ' ' O ' ' A' ' 109' ' ' THR . 50.7 mt 9.73 -107.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.97 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.397 1.061 . . . . 0.0 110.015 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.53 -62.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.502 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 27.4 m -49.65 -24.03 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.717 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -87.95 -37.19 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.489 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 2.0 mtmt -68.12 -37.54 81.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.502 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -63.55 -19.89 65.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.662 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -90.04 -22.84 21.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 72.5 mt -61.54 -22.7 65.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -102.03 -2.4 29.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.625 ' ND1' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -90.22 27.89 1.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.604 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 1.5 mpt_? 43.39 -96.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.768 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 8.9 p90 -140.91 97.45 3.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.521 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 2.2 tt0 50.87 69.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.45 57.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 52.08 22.03 8.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -170.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.674 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 56.1 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 58.53 11.54 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.23 166.52 9.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 108.355 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.9 p -103.43 107.72 56.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -75.01 123.96 8.26 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.563 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.6 p -149.56 -132.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.51 85.06 0.17 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.623 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.439 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.4 Cg_endo -74.97 1.11 8.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 113' ' ' THR . 0.3 OUTLIER -138.35 -43.1 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.3 mt-30 -64.93 -5.27 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.64 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.79 -37.75 24.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.853 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.9 m-85 -87.4 1.81 52.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 5.1 m -111.2 -15.22 13.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 108.335 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.1 -39.06 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.725 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -56.25 170.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -148.39 14.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 11.1 p -165.74 89.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.647 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -101.39 118.09 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.543 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -143.72 125.25 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.675 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 3.7 mtp180 -77.27 39.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.606 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.2 t -61.82 170.68 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 16.2 ptmt -124.41 121.69 35.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.66 104.25 16.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.478 HG11 ' CG1' ' A' ' 78' ' ' VAL . 2.5 m -107.16 -36.48 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.518 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -114.41 166.85 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.078 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.8 mp0 -149.97 -179.78 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -148.36 113.98 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.438 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 7.3 tt0 -75.17 90.78 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 10.0 m -97.2 94.57 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.489 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -45.11 146.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.512 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.3 t -133.22 15.5 4.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.19 -174.43 37.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.468 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.2 m120 -84.27 165.44 18.32 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -95.46 -161.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.516 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -81.56 1.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.598 1.186 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.78 -0.63 19.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.87 -8.77 76.79 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' ASP . 8.6 p-10 -78.41 153.88 79.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.5 Cg_endo -74.92 129.65 12.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.512 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 52.8 mt -70.91 -84.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.547 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.03 124.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.605 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -129.74 68.05 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -41.46 145.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.644 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.2 mm-40 -88.37 -177.15 5.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.881 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -137.43 68.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.554 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 13.6 tt0 -62.73 68.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.613 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.2 pt -66.44 -176.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.8 ttpt -118.51 -4.59 10.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.51 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.8 mm100 54.99 114.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.473 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -122.18 -35.36 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.541 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -145.49 160.82 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.45 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -140.21 68.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -35.94 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -126.93 70.08 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.17 -163.09 12.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.45 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.1 Cg_endo -75.08 -170.59 0.81 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.29 -33.23 12.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.655 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.4 -81.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.655 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 151.11 164.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.501 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.8 OUTLIER -106.87 -78.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.544 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.01 -7.04 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -146.11 96.28 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.525 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -100.67 172.49 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.658 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.17 153.43 41.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.657 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 5.5 t -170.81 -164.55 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.526 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.64 153.56 39.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.547 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.1 Cg_endo -75.01 -160.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.35 -160.18 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.975 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 66.1 p -81.63 32.89 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 82.29 101.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.508 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -109.84 -40.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.674 ' HA ' ' N ' ' A' ' 1' ' ' CYS . 16.7 m -121.46 13.34 10.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.542 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.33 -152.65 6.01 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.073 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.54 ' O ' ' C ' ' A' ' 75' ' ' SER . 47.9 t -115.62 3.84 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.54 ' C ' ' O ' ' A' ' 74' ' ' VAL . 8.3 p 27.74 82.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.936 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.881 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -103.48 141.33 36.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.491 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -125.99 0.53 7.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 2.8 t 69.62 -56.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -55.1 -11.83 3.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.449 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -117.69 -16.28 6.0 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.44 -89.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 160.99 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.502 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -169.23 168.43 9.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.784 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.2 p90 -152.14 152.66 32.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.68 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.25 2.71 34.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.784 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.91 100.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.725 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -129.91 101.92 6.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -156.93 162.81 31.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -36.31 96.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.495 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . -60.58 176.26 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.526 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.7 tp10 -124.85 4.35 8.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.17 -115.61 1.68 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.83 139.68 40.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 82.03 -2.16 84.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.564 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -176.39 142.84 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.526 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -145.5 -169.58 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.447 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -126.48 133.49 51.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.575 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.537 ' CD1' HG13 ' A' ' 86' ' ' ILE . 12.9 pt -144.45 142.08 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.554 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -140.33 161.0 38.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 1' ' ' CYS . 0.8 OUTLIER -57.08 -43.69 82.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.252 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.419 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -63.22 -33.6 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 108.344 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.431 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.5 t0 -73.81 167.57 21.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.853 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.64 119.09 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.554 ' CD1' ' O ' ' A' ' 99' ' ' THR . 4.2 pt -165.8 135.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.532 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -154.84 158.8 32.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.615 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.02 10.12 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.675 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.6 t90 71.91 -59.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.5 ' O ' HG22 ' A' ' 109' ' ' THR . 42.8 t0 -70.35 52.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.651 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.0 p -158.43 -59.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.651 ' C ' ' O ' ' A' ' 109' ' ' THR . 54.1 mt 15.18 -107.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.24 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.95 -65.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.455 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 24.1 m -49.48 -27.48 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.735 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -82.57 -32.86 28.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.502 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -73.16 -42.6 62.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.29 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.478 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -60.89 -20.84 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.66 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.63 -15.15 33.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.491 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 63.4 mt -71.76 -20.15 61.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 119' ' ' ASN . 0.1 OUTLIER -74.42 -56.36 4.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 117' ' ' SER . 1.4 p80 -46.45 134.53 9.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.549 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -49.91 -49.94 48.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.793 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 2.2 p90 179.62 98.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.418 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 1.5 tt0 61.77 67.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.507 ' CG ' ' HB2' ' A' ' 120' ' ' HIS . 0.1 OUTLIER -69.7 55.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.969 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 48.55 22.24 2.52 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -169.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 71' ' ' VAL . 37.8 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.62 25.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.439 1.087 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -83.69 160.29 21.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 108.31 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.453 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 9.6 p -88.49 113.85 57.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 103.25 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.629 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.2 p -126.34 -131.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 41.31 82.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.568 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.73 6.32 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.448 ' NE2' HG21 ' A' ' 113' ' ' THR . 0.5 OUTLIER -139.09 -44.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 8.9 mt-30 -63.65 -6.24 5.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.6 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.15 -38.11 22.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.932 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -86.63 1.05 53.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 1.8 m -110.42 -13.96 14.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.275 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -98.0 -37.85 9.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.688 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -55.72 171.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.03 15.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.516 HG13 ' CB ' ' A' ' 90' ' ' ALA . 14.6 p -166.42 84.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.539 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.75 120.94 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.522 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -145.19 124.89 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.696 ' CZ ' ' CZ2' ' A' ' 107' ' ' TRP . 16.9 mtp180 -77.29 40.51 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.604 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.3 t -62.97 175.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.467 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' N ' ' OG1' ' A' ' 21' ' ' THR . 14.7 ptmt -129.02 120.66 26.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.572 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.5 103.15 15.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.509 HG11 ' CG1' ' A' ' 78' ' ' VAL . 1.9 m -105.08 -37.04 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.514 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -113.37 166.0 11.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 2.6 mp0 -150.85 -175.18 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.206 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.631 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.09 112.31 4.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.226 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.516 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.2 tt0 -75.97 90.08 2.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 16.8 m -97.5 79.67 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' OD1' ' OE1' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -44.61 142.39 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.515 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.7 t -127.94 30.19 5.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.51 -169.14 6.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.9 m120 -83.9 164.39 19.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.6 t70 -94.78 -161.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.516 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.99 1.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -109.0 -1.23 19.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.08 -8.72 77.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.49 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.8 p-10 -78.39 153.37 79.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.566 0.804 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.04 128.96 11.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.432 HG22 ' OG ' ' A' ' 31' ' ' SER . 23.4 mt -73.8 -95.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.486 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 25.6 ttmt 72.54 124.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.628 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.5 ptt85 -127.79 72.94 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -45.0 143.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.631 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.6 mm-40 -86.55 -178.81 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.651 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.5 OUTLIER -137.77 67.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.514 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.8 tt0 -63.12 70.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.657 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.5 pt -67.87 -177.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.0 ttpt -120.44 -3.35 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.524 ' HG3' ' OD1' ' A' ' 59' ' ' ASP . 15.1 mm100 58.2 123.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.439 HG12 ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -130.79 -37.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -149.85 154.58 38.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.481 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -132.66 72.84 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.605 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -37.81 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HB3' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -135.81 76.3 1.6 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.32 -162.65 11.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.578 1.174 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.495 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.5 Cg_endo -74.96 -175.77 2.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -90.04 -32.57 16.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.592 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.07 -79.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.649 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 4.2 t0 148.12 168.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.649 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -108.56 -76.98 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.538 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 2.1 mt-10 72.87 -9.12 1.15 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.506 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.2 m-85 -141.93 95.42 2.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.537 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -102.77 166.59 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.623 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.2 m-85 -120.36 157.66 28.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.189 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.651 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 7.6 t -172.88 -161.97 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.503 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -111.02 152.32 43.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.531 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.06 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.43 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 68.09 -159.11 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.532 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 46.2 t -81.78 28.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.952 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 85.7 96.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.628 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -104.32 -49.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.628 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 3.8 m -109.76 9.36 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.552 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.33 -152.88 5.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.511 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 70.6 t -117.55 2.26 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 31.54 86.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.701 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -104.67 136.82 43.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.505 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -120.71 -5.39 9.7 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 2.9 t 69.64 -55.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -48.07 -13.93 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -117.87 -27.72 2.44 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -107.17 -94.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.532 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 165.7 -63.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.532 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -167.11 168.04 13.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.253 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.823 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.0 p90 -150.15 154.03 37.34 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.691 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.61 2.27 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.823 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.65 100.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.796 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -126.49 111.34 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.449 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -144.46 174.55 24.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.415 1.072 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.84 -34.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 0.0 109.383 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.526 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 82.19 173.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.7 OUTLIER -131.65 3.13 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.245 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.15 -120.47 3.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.96 143.22 50.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.499 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.77 -3.18 65.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -176.33 141.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.537 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.44 -168.46 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.431 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -128.92 128.25 43.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.53 ' CD1' HG13 ' A' ' 86' ' ' ILE . 3.1 pt -140.89 139.14 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -136.45 167.02 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.577 1.173 . . . . 0.0 110.349 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.552 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.5 OUTLIER -62.38 -48.91 77.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.438 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 6.5 t -63.44 -13.78 43.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 108.309 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.417 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.3 t0 -92.13 166.71 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.932 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -69.52 115.59 8.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.52 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.6 pt -165.28 129.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.534 ' O ' ' CB ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -149.53 159.19 36.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.05 10.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.696 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 14.1 t90 71.3 -61.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.488 ' O ' HG22 ' A' ' 109' ' ' THR . 57.2 t0 -69.83 52.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.661 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.1 p -158.85 -59.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.661 ' C ' ' O ' ' A' ' 109' ' ' THR . 49.3 mt 14.55 -106.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.05 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.0 -67.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.448 HG21 ' NE2' ' A' ' 9' ' ' GLN . 21.8 m -47.54 -25.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.71 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -84.43 -34.04 23.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.482 ' HG3' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -71.83 -42.42 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.553 ' NZ ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -62.02 -20.99 64.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.618 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -88.47 -15.25 35.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.931 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.588 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 54.3 mt -72.62 -28.34 62.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -85.85 -8.68 57.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.558 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 0.1 OUTLIER -83.04 8.84 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.601 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.472 ' CA ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 61.55 -85.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.562 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.4 OUTLIER -150.74 90.61 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 2.1 tt0 57.27 66.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.558 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.24 56.83 0.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 52.37 25.78 20.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.49 -171.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 3' ' ' CYS . 57.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 39.43 28.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.059 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 1' ' ' CYS . 1.4 m -75.77 164.34 26.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.34 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -97.89 110.1 54.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.944 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.02 3.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.601 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.8 p -140.11 -131.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.43 95.0 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.24 15.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.793 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.571 ' OE1' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -124.76 -42.6 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 6.1 mt-30 -55.09 -10.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.603 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -84.46 -36.89 21.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.902 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -88.74 0.65 56.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 m -109.42 -15.13 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.25 -37.13 10.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.724 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -55.03 174.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -156.37 17.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 14.1 p -166.0 78.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.572 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -93.73 118.11 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.543 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -144.73 124.63 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.662 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 10.9 ttp180 -76.71 41.13 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.605 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.1 t -60.81 171.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 14.5 ptmt -124.37 118.65 27.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.82 106.23 18.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.514 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 3.2 m -110.39 -37.09 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.506 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -112.48 163.47 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.986 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -148.36 -176.45 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.02 115.18 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HA ' HD13 ' A' ' 43' ' ' ILE . 6.9 tt0 -75.09 92.57 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 6.7 m -99.51 93.83 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.478 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.5 m-20 -45.25 143.92 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.378 1.049 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.517 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.3 t -130.9 17.46 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.059 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.08 -174.08 30.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.437 1.086 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.48 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.7 m120 -84.72 165.89 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.0 t0 -95.5 -161.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.524 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -81.17 1.18 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -108.94 -1.56 18.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.6 -8.97 77.72 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.48 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -77.64 153.62 81.08 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.571 0.806 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.517 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 46.4 mt -71.91 -84.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.565 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.99 124.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.61 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.18 69.74 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -43.09 145.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.643 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.8 mm-40 -87.21 -179.6 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.652 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.76 68.79 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.047 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.506 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.8 tt0 -63.35 68.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.181 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.598 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.5 pt -65.72 -175.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.519 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -123.53 0.16 8.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.519 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.54 128.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -134.59 -36.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' N ' HG12 ' A' ' 50' ' ' ILE . 3.0 tttt -144.36 167.32 22.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.361 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.92 65.05 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CE2' ' CD2' ' A' ' 118' ' ' LEU . 18.9 m-85 -40.13 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -127.18 71.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.02 -158.72 9.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.444 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.01 -173.49 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -88.81 -34.69 16.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.227 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -81.94 -78.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.4 t70 152.39 171.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.49 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.4 mm -97.92 -73.12 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.58 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.86 -8.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.362 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.578 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -146.42 96.89 2.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.527 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -106.53 169.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.62 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.8 m-85 -122.35 155.48 35.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.652 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 7.7 t -172.68 -165.51 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.49 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -102.61 155.68 36.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.565 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo -75.04 -165.54 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.52 -172.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.678 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -54.09 -33.84 58.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.678 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 149.06 109.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.567 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -115.91 -36.31 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.567 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 8.3 m -128.76 17.66 6.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.499 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -159.83 -153.48 6.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.486 HG21 ' CD1' ' A' ' 104' ' ' ILE . 64.8 t -117.19 -0.82 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.553 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 33.84 85.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.009 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.625 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -106.41 134.19 49.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.497 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -122.93 1.24 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.562 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.6 t 71.33 -58.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.68 -9.79 1.89 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.488 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.95 -20.99 3.95 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.488 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -124.05 -92.47 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 0.723 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.562 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.71 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.332 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.588 ' O ' ' O ' ' A' ' 106' ' ' PRO . 10.9 mp0 -148.21 149.46 31.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.809 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.9 p90 -130.88 153.08 49.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.671 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.97 3.53 33.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.809 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.19 104.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.724 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -130.01 110.22 11.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 89' ' ' LYS . . . -147.52 170.2 28.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 2.0 tttm -39.6 -35.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.517 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . 83.46 177.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.602 1.189 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.528 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.1 tp10 -134.96 7.31 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.44 -123.68 4.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.35 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 75.64 -0.47 60.95 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.107 . . . . 0.0 111.045 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.578 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.18 142.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.289 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.528 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -146.75 -170.0 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.982 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.69 130.13 48.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.522 ' CD1' HG13 ' A' ' 86' ' ' ILE . 6.3 pt -141.53 139.18 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.553 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 2.0 p -138.33 163.82 30.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.439 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.528 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -62.5 -29.16 70.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -29.83 57.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 108.284 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.406 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.6 t0 -81.18 170.24 16.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.902 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.82 117.5 12.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.051 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.553 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.3 pt -164.42 132.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.422 HG22 HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.51 157.36 32.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.588 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.4 Cg_endo -74.99 7.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.419 1.747 . . . . 0.0 111.049 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.662 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 2.5 t90 73.99 -57.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.03 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.52 ' O ' ' CG2' ' A' ' 109' ' ' THR . 65.9 t0 -69.34 50.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.683 ' O ' ' C ' ' A' ' 110' ' ' LEU . 13.3 p -158.67 -55.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.683 ' C ' ' O ' ' A' ' 109' ' ' THR . 40.7 mt 8.49 -106.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 147.43 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.599 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.74 -63.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.486 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 20.6 m -51.03 -25.81 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.445 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.702 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -84.17 -33.02 24.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -72.72 -42.45 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.571 ' CE ' ' OE1' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -64.09 -12.51 39.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.601 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.3 -19.81 17.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.608 ' CD2' ' CE2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -71.05 -26.68 63.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 1.183 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 116' ' ' LYS . 10.1 p30 -92.62 -23.96 18.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.677 ' CD2' ' CB ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -84.23 47.75 1.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.64 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.3 mmt-85 55.83 -109.82 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.559 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 40.0 p90 -147.69 11.41 0.97 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.8 OUTLIER 169.3 62.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.677 ' CB ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.73 55.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 48.88 22.42 2.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.45 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -59.74 -170.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 0.0 110.303 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.401 ' C ' ' N ' ' A' ' 3' ' ' CYS . 63.4 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER 49.57 21.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -69.04 162.94 25.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.491 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 69.3 p -85.62 115.88 63.32 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.443 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.95 84.21 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.656 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.6 p -103.97 -132.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.656 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 42.0 93.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.595 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.0 Cg_endo -75.06 -27.86 9.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.591 ' NE2' ' HG ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -120.11 -40.57 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.432 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 8.8 mt-30 -57.28 -8.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.615 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.75 -39.48 20.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.895 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -85.91 1.53 49.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 6.3 m -110.2 -15.08 14.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 108.241 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.95 -38.66 10.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.668 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.76 172.24 0.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -148.48 11.27 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.522 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 4.9 p -166.91 92.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.594 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -100.88 122.86 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.544 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.6 OUTLIER -145.24 126.28 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.697 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.5 mtp180 -77.27 37.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.231 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.641 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.4 t -60.87 163.67 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 14.8 ptmt -119.23 119.92 35.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.537 ' HA ' HG21 ' A' ' 47' ' ' ILE . . . -92.17 101.36 13.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.454 ' CG1' HG12 ' A' ' 78' ' ' VAL . 2.9 m -103.71 -35.69 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.503 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.7 161.73 18.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.1 -177.4 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.639 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -151.29 112.45 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.506 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.2 tt0 -74.55 92.73 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 m -99.17 80.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.78 139.4 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.524 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.7 t -125.43 32.6 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.67 -169.57 4.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.486 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.3 m120 -83.66 165.24 19.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.4 t70 -94.86 -162.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.508 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -80.46 0.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -108.49 -1.31 19.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.46 -9.54 75.2 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.106 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.486 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.4 p-10 -77.45 153.85 81.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.0 130.04 12.91 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 41' ' ' LYS . 41.8 mt -75.22 -94.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 20.1 ttmt 72.13 121.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.652 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.6 ptt85 -126.14 69.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -39.3 146.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.652 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 10.6 mm-40 -89.68 179.36 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.961 ' HH ' ' N ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.71 70.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.503 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.6 tt0 -64.66 66.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.59 1.181 . . . . 0.0 110.256 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.639 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.7 pt -65.37 -176.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -119.24 0.9 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.502 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.3 mm100 49.37 107.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.473 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -115.57 -33.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.53 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -144.41 164.54 30.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.1 ttp -144.8 70.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.585 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -40.67 -77.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.542 ' O ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.23 165.89 21.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.522 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 128.8 -137.26 9.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.452 ' HD3' ' CG2' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.03 -163.11 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.79 -30.13 4.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.0 -81.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.556 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.6 t70 154.92 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.202 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.548 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 1.2 mm -102.83 -79.88 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 76.66 -8.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.586 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -143.45 94.09 2.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.559 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -104.33 171.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.388 1.055 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.611 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.0 m-85 -119.67 163.76 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.566 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 5.0 t -176.64 -174.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.473 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -102.04 148.3 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.557 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.99 -161.3 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.407 1.741 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.7 OUTLIER 58.42 -170.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.6 p -70.14 54.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.052 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 56.02 96.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.486 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -103.22 -34.42 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.175 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.514 ' O ' ' HA ' ' A' ' 99' ' ' THR . 19.6 m -131.7 10.98 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.544 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.54 -156.01 7.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.547 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 15.0 t -115.15 1.09 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 74' ' ' VAL . 79.2 p 30.03 84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.961 ' N ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -102.87 129.77 49.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.464 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.6 p30 -116.25 -3.46 11.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 0.9 OUTLIER 72.04 -52.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.13 -15.33 0.38 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.502 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.6 -32.63 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.538 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -102.86 -95.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.509 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 163.81 -66.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.526 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -161.66 166.61 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.804 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.5 p90 -150.69 153.75 36.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.669 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.34 0.21 46.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.804 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 13.36 100.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.78 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -127.96 109.77 11.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.401 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -141.94 177.02 21.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 3.3 tttm -51.03 -28.63 10.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 83.68 -178.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.54 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.8 tp10 -136.92 -37.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.44 -150.33 11.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.7 130.08 45.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 0.75 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 83.8 -4.37 82.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -166.77 141.65 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.559 ' HE3' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -140.49 -158.6 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.94 130.28 27.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.69 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.509 ' CD1' HG13 ' A' ' 86' ' ' ILE . 10.2 pt -141.61 142.1 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.217 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.557 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.7 OUTLIER -140.37 159.49 42.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.544 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.0 OUTLIER -55.19 -46.64 75.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 2.4 t -61.69 -32.29 72.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 108.265 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.492 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 10.2 t0 -74.87 167.73 21.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.895 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -70.82 117.2 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.937 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.557 ' CD1' ' O ' ' A' ' 99' ' ' THR . 4.2 pt -165.53 132.35 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.548 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -152.0 159.35 33.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.604 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.0 Cg_endo -75.04 10.41 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.697 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 18.0 t90 71.38 -59.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.047 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.507 ' O ' ' CG2' ' A' ' 109' ' ' THR . 16.1 t70 -69.33 52.49 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.675 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.0 p -159.29 -56.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.675 ' C ' ' O ' ' A' ' 109' ' ' THR . 52.1 mt 11.25 -108.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.45 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.583 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.93 -65.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.356 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.438 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 25.2 m -49.83 -26.59 4.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.452 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.726 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -83.04 -31.15 27.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.485 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.4 OUTLIER -75.5 -43.44 49.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.57 ' CE ' ' OE1' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -62.59 -13.44 31.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.619 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -96.74 -15.1 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 110.026 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.488 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 76.0 mt -69.63 -31.11 69.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -86.46 -19.56 29.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 0.3 OUTLIER -85.8 43.52 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.641 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.407 ' HD2' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 52.24 -101.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.643 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 47.5 p90 -149.06 12.41 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.643 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 3.0 tt0 160.63 61.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 110.274 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.537 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -70.92 54.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.44 24.67 24.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.417 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -59.17 -167.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.407 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 1.1 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.564 ' O ' ' N ' ' A' ' 3' ' ' CYS . 77.1 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.53 ' C ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -26.88 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' A' ' 1' ' ' CYS . 43.6 t -150.79 133.92 16.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 108.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -62.23 109.39 2.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.4 Cg_endo -74.97 76.76 3.29 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.467 1.772 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.593 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.1 p -98.79 -133.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.7 OUTLIER 43.54 93.96 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.129 . . . . 0.0 109.594 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.0 -32.97 4.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -114.75 -36.33 4.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.353 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.491 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -58.16 -11.7 2.85 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.664 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.05 -34.94 29.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.895 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -89.44 -3.55 58.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 7.3 m -104.95 -9.67 17.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.371 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.491 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.4 OUTLIER -103.47 -39.27 6.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.784 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.03 169.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.237 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -148.83 15.31 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 13.2 p -166.57 88.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.623 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -99.58 117.12 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.519 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -142.27 124.74 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.634 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 8.2 mtp180 -78.1 39.67 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.609 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.2 t -60.09 179.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.486 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 13.7 ptmt -133.04 118.63 19.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.575 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -92.59 104.21 16.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.488 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 3.5 m -107.92 -35.85 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.37 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.513 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -113.71 161.64 17.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 110.06 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.5 mp0 -147.44 -177.23 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.3 ttpt -149.85 114.68 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.433 ' HA ' HD13 ' A' ' 43' ' ' ILE . 7.5 tt0 -75.3 92.27 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.4 HG23 ' NE2' ' A' ' 44' ' ' GLN . 22.3 m -103.99 119.64 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.7 159.12 14.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.521 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.3 t -146.69 18.2 1.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.162 . . . . 0.0 109.952 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 74.26 179.79 41.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.469 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.0 m-20 -84.14 164.41 19.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -96.16 -161.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.523 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -80.88 1.84 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -110.07 -0.34 18.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.582 1.176 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.31 -9.83 71.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.147 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.5 p-10 -77.72 154.6 81.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 129.76 12.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.521 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 55.0 mt -65.2 -79.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.658 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.1 tppt? 69.56 125.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.638 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -130.63 68.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.319 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.442 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -40.07 146.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.638 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 9.0 mm-40 -88.08 179.79 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.943 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.84 67.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.513 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.6 tt0 -63.35 70.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.616 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.3 pt -66.34 -173.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.557 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -127.17 2.54 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 54.49 125.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.439 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -132.72 -30.23 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.472 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -155.03 167.25 30.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.2 ptp -144.83 69.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.634 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -38.28 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HB3' HG21 ' A' ' 18' ' ' VAL . 13.7 tptp -133.24 72.26 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.1 -152.44 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.484 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.6 Cg_endo -74.96 -168.46 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.077 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -97.36 -33.81 11.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.24 -79.77 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.51 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.2 t70 155.65 170.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 56' ' ' PRO . 1.8 mm -100.13 -74.23 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.582 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 72.81 -8.15 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -145.98 95.6 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.512 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -107.09 167.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.381 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.604 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.3 m-85 -121.33 152.26 39.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.632 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.5 t -167.38 -165.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.473 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.509 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -102.34 154.52 37.37 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.658 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo -74.95 -161.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.88 -168.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.635 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 3.6 p -54.09 -40.18 67.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.635 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 152.29 102.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.521 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -106.5 -44.49 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.167 . . . . 0.0 109.326 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.521 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 20.5 m -121.58 27.01 8.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 108.254 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.529 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -168.03 -153.62 8.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.468 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 96.1 t -121.08 -1.3 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.611 ' CA ' ' HH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 34.68 82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.946 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.943 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -104.12 132.39 50.42 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.507 ' C ' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -118.22 1.27 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 3.4 t 68.88 -57.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -51.23 -13.56 1.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.435 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -116.13 -25.36 3.57 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -112.63 -90.04 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.5 -63.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -169.62 165.98 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.355 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.786 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.1 p90 -149.7 152.99 36.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.995 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.693 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.78 4.16 30.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.786 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 9.92 101.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.784 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -126.96 109.47 11.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.418 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -145.0 171.16 26.25 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -39.75 -36.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.523 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 83.78 175.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.519 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.2 tp10 -134.83 6.98 3.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.87 -122.85 4.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.04 142.56 50.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 79.24 -2.28 71.67 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.57 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.69 142.8 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 0.721 . . . . 0.0 109.345 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.523 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -146.54 -168.79 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.435 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -128.08 129.29 46.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.612 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.528 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.7 pt -141.52 141.67 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.7 OUTLIER -142.1 164.7 29.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.529 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -58.49 -44.57 89.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.374 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 2.6 t -63.52 -32.35 73.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.43 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.3 t0 -75.83 168.27 20.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.895 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.9 115.52 11.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.9 pt -162.86 132.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.529 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -151.67 158.48 34.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.616 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 11.98 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.631 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.2 t90 71.13 -62.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 108.019 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.49 ' O ' HG22 ' A' ' 109' ' ' THR . 16.9 t70 -69.47 53.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.668 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.3 p -158.82 -56.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.383 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.668 ' C ' ' O ' ' A' ' 109' ' ' THR . 61.9 mt 11.68 -107.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 147.47 -41.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.83 -62.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.577 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 21.3 m -51.63 -22.62 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.693 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -87.22 -37.45 17.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.5 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.1 mtmt -67.5 -38.19 83.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.577 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 2.7 pttt -64.32 -16.84 62.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.677 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -97.42 -9.7 26.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 0.0 109.96 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.593 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 28.4 mt -72.63 -30.05 63.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -96.84 1.48 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.677 ' CD2' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -88.3 17.97 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.61 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 53.14 -91.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.589 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.3 OUTLIER -148.44 94.17 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.473 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 0.9 OUTLIER 55.2 59.24 4.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.414 1.071 . . . . 0.0 110.328 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.5 56.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.402 1.064 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 55.8 28.58 52.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -168.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.67 49.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.13 -173.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 108.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -141.34 124.24 9.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.447 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.98 134.77 18.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.436 1.756 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 9.9 p -154.84 -134.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.51 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 32.94 90.49 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 4.38 4.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.506 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.6 OUTLIER -140.46 -44.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.603 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -64.0 -7.21 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.203 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.619 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.57 -33.59 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.862 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.2 m-85 -89.89 -3.08 58.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -104.91 -13.79 15.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.603 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.4 OUTLIER -99.23 -39.95 8.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.743 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.55 172.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.36 13.6 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 5.0 p -167.55 90.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.593 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 1.3 t -99.82 116.33 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.577 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -141.85 123.59 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.651 ' CZ ' ' CZ3' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -76.79 40.96 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.322 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.625 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.3 t -63.32 174.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.374 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.465 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 12.8 ptmt -128.51 120.22 26.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -92.05 109.45 20.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.499 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 1.5 m -112.15 -35.62 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.493 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -116.11 169.38 9.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -151.9 179.28 8.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.645 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.1 ttpt -144.44 111.84 6.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.588 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 4.9 tt0 -74.33 91.68 2.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.357 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.47 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 33.1 m -107.31 116.56 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.5 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -57.54 162.25 3.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.439 ' OG ' HG22 ' A' ' 40' ' ' ILE . 2.1 t -147.4 18.57 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.66 177.5 46.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.479 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.2 m-80 -85.27 162.33 19.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 0.773 . . . . 0.0 109.291 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.8 t0 -93.74 -162.6 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.504 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.9 mp -80.19 1.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.21 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -109.52 -0.79 18.64 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.5 -8.88 75.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.479 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.1 p-10 -78.31 153.36 79.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 130.14 12.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.439 HG22 ' OG ' ' A' ' 31' ' ' SER . 64.6 mt -64.97 -79.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.588 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.2 tppt? 70.03 125.25 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.683 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.2 68.97 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.47 139.34 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.683 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 6.1 mm-40 -81.72 -177.86 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.565 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.84 69.3 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.9 tt0 -63.17 68.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.625 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.6 pt -66.66 -175.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -120.52 -3.86 9.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.53 ' CD ' ' OD1' ' A' ' 59' ' ' ASP . 19.2 mm100 59.85 125.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 HD13 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -134.16 -38.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -144.51 151.16 38.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.379 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -135.45 67.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.588 ' CD1' HD21 ' A' ' 118' ' ' LEU . 46.7 m-85 -44.55 -73.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.552 ' O ' ' N ' ' A' ' 18' ' ' VAL . 13.3 tptt -125.88 159.56 32.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' N ' ' HG3' ' A' ' 54' ' ' LYS . . . 134.25 -143.96 15.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.499 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.1 Cg_endo -74.96 -163.04 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -116.67 -30.99 5.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.36 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -71.14 -76.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.677 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 2.7 t0 149.89 163.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.677 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 1.3 mm -104.57 -76.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.68 -9.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.286 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.583 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -142.4 93.7 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.95 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.532 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -97.96 171.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.758 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -124.96 146.8 49.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.565 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.8 t -161.21 -161.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.519 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -106.58 153.75 40.41 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.384 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.54 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.07 -160.13 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.32 -170.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.994 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.7 p -73.42 53.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.454 ' CA ' ' HB3' ' A' ' 75' ' ' SER . . . 63.4 102.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.494 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -112.14 -30.57 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.494 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 12.1 m -132.04 12.2 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 108.256 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.603 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.81 -151.58 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.534 ' O ' ' C ' ' A' ' 75' ' ' SER . 99.2 t -115.69 4.71 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.534 ' C ' ' O ' ' A' ' 74' ' ' VAL . 19.1 p 27.81 86.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.09 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.629 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.29 136.89 43.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.515 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -126.08 -0.31 7.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.569 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.4 t 72.34 -54.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.66 -11.18 1.81 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -118.99 -30.63 1.57 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.498 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -112.27 -95.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 0.794 . . . . 0.0 109.294 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.569 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.53 -84.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 106' ' ' PRO . 5.1 mp0 -145.52 159.28 43.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.787 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.3 p90 -145.4 152.61 40.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.7 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.27 5.01 24.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.787 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 9.31 101.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.743 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -127.48 106.63 9.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -159.67 156.31 27.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -36.22 94.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 109.359 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -55.57 175.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.516 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 21.0 tp10 -120.94 5.85 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.181 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.4 -108.47 0.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.114 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.04 135.98 23.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 84.83 -2.22 88.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.23 142.73 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.532 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.94 -168.6 3.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.758 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -127.47 130.61 49.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.606 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.522 ' CD1' HG13 ' A' ' 86' ' ' ILE . 4.8 pt -141.78 142.57 28.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.535 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.7 OUTLIER -140.02 163.82 31.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.413 1.071 . . . . 0.0 110.421 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.603 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -58.92 -46.57 87.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.444 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -62.44 -29.59 70.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 108.37 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.487 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 6.4 t0 -75.59 167.5 21.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.862 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -71.16 117.95 13.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.535 ' CD1' ' O ' ' A' ' 99' ' ' THR . 5.4 pt -164.84 135.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -156.83 157.61 30.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.561 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.0 Cg_endo -75.02 4.62 4.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.651 ' CZ3' ' CZ ' ' A' ' 20' ' ' ARG . 1.8 t90 77.92 -56.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.003 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.529 ' O ' ' CG2' ' A' ' 109' ' ' THR . 38.8 t70 -69.24 50.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.245 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.715 ' O ' ' C ' ' A' ' 110' ' ' LEU . 20.9 p -158.32 -51.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.715 ' C ' ' O ' ' A' ' 109' ' ' THR . 42.7 mt 4.45 -105.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.653 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 144.92 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.36 -64.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.468 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.506 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 19.9 m -50.15 -25.29 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.644 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -83.8 -35.19 24.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.458 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -70.4 -42.57 71.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -62.95 -19.43 64.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.649 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -96.62 -6.96 35.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.942 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -81.7 -23.81 36.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -105.6 12.54 31.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -88.02 13.96 10.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.079 . . . . 0.0 109.598 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.413 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 66.59 -71.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.445 ' HB2' ' CD ' ' A' ' 54' ' ' LYS . 7.9 t80 -174.05 92.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.491 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 2.3 tt0 55.12 47.97 20.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.8 56.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 61.74 22.56 62.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 111.054 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.403 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -58.91 -177.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.508 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 93.1 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 31.15 39.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.526 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 4.7 t -93.4 136.57 33.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 108.278 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.9 p -67.38 111.41 7.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.465 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.6 Cg_endo -74.95 70.1 5.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.401 1.738 . . . . 0.0 111.055 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.633 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.0 p -93.66 -134.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.633 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 40.62 93.81 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.6 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.439 1.758 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.644 ' NE2' ' HG ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -121.19 -38.48 2.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 12.0 mt-30 -58.25 -9.27 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.635 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.37 -38.29 24.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.878 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -87.42 1.47 53.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.466 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.0 OUTLIER -109.56 -16.77 13.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 108.287 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -94.9 -38.66 10.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.693 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.06 173.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.399 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.429 ' OD1' ' CE2' ' A' ' 122' ' ' TYR . 14.4 m-20 -155.66 18.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.522 ' O ' HG11 ' A' ' 17' ' ' VAL . 7.3 p -167.45 80.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.567 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.93 117.45 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.533 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -143.09 125.03 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.696 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 6.1 mtp180 -75.77 38.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.635 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.3 t -59.89 169.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.563 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 14.7 ptmt -124.55 119.31 28.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.595 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.72 94.7 8.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.441 ' CG1' ' HE2' ' A' ' 22' ' ' LYS . 11.3 m -98.28 -35.71 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.517 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -113.43 162.06 16.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.73 -177.16 5.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -152.32 111.72 3.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.5 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -74.41 92.1 2.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.234 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 m -98.51 80.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -45.36 140.06 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.525 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.5 t -125.53 29.87 5.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 59.94 -169.91 7.04 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.7 m-20 -83.83 164.68 19.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 0.726 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.5 t0 -95.23 -162.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.517 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -80.14 1.26 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -108.35 -1.33 20.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.96 -9.07 75.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.489 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -78.08 153.21 79.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.791 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.12 129.13 11.95 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 41' ' ' LYS . 33.3 mt -73.63 -96.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.5 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 22.9 ttmt 73.42 122.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.639 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -127.14 68.39 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.544 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -37.74 146.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.647 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mm-40 -89.57 179.21 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.659 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -137.24 68.33 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.517 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.5 tt0 -63.24 70.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.635 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -65.32 -167.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.652 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.9 ttpt -133.52 12.34 4.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.652 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 41.9 110.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.511 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -118.48 -28.87 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.534 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -152.63 167.8 27.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.19 69.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -40.98 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.511 ' HB3' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -132.22 71.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.02 -157.83 9.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.43 1.753 . . . . 0.0 111.01 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -87.89 -33.61 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.547 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.03 -81.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 0.0 109.252 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 5.0 t70 152.45 170.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.064 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.476 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -102.48 -72.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.581 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 73.64 -9.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.54 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -145.72 98.49 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.525 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -105.8 168.51 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.582 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.6 m-85 -121.6 151.77 40.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.659 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 3.9 t -166.99 -169.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.348 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.54 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -103.3 149.62 37.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.544 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.02 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 65.89 -157.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.941 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 5.7 p -80.77 25.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 86.19 99.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.546 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -106.25 -41.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.219 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 13.1 m -121.97 12.81 10.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.489 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -151.37 -161.82 10.33 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.531 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 43.8 t -109.5 -0.57 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.76 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 74' ' ' VAL . 25.8 p 31.04 79.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 110.044 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.589 HD12 ' CD2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.03 129.52 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.24 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.539 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -107.48 -8.34 16.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.558 HG21 ' O ' ' A' ' 82' ' ' LYS . 2.5 t 70.51 -52.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.89 -15.48 0.17 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -117.59 -30.73 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.539 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -103.0 -93.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 168.36 -84.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 7.6 mp0 -151.15 149.68 29.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.805 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.3 p90 -126.37 154.5 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.676 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.55 4.4 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.805 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.13 105.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.716 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -130.81 109.91 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.409 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -144.77 -177.7 19.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.4 -32.21 25.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.574 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 78.45 175.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.538 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.7 tp10 -133.15 4.58 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.14 -124.83 4.47 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.04 141.9 51.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 0.726 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.451 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 79.4 -3.91 65.62 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -173.89 139.66 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.574 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -145.77 -173.29 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.998 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.46 130.68 53.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.542 ' CD1' ' CG1' ' A' ' 86' ' ' ILE . 14.7 pt -142.11 133.35 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.578 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 63.0 p -133.39 159.9 38.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.581 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -54.2 -16.88 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 99' ' ' THR . 0.4 OUTLIER -96.26 -26.71 15.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 108.273 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.638 ' O ' ' C ' ' A' ' 103' ' ' PHE . 8.6 t0 -83.44 104.49 13.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.878 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -11.68 120.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 102' ' ' ASP . 3.9 pt -166.97 135.45 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -156.77 157.96 31.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.647 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.09 12.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.696 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.2 t90 70.92 -61.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.5 ' O ' HG22 ' A' ' 109' ' ' THR . 43.7 t0 -69.36 52.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.67 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.9 p -159.13 -55.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.67 ' C ' ' O ' ' A' ' 109' ' ' THR . 62.9 mt 10.9 -106.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 148.52 -43.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.558 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.8 -65.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.397 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.551 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 22.4 m -50.37 -21.23 1.34 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.715 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -87.38 -37.93 16.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.528 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.5 mtmt -67.42 -39.06 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.551 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 1.9 pttt -64.14 -14.57 55.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.644 ' HG ' ' NE2' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -97.68 -15.5 20.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.447 HD13 ' HG3' ' A' ' 115' ' ' LYS . 83.0 mt -71.86 -29.33 64.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.417 ' ND2' ' C ' ' A' ' 119' ' ' ASN . 1.2 p-10 -91.05 -14.41 31.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.529 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 0.0 OUTLIER -91.39 30.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.625 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.433 ' HD2' ' NZ ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER 64.35 -110.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.581 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 25.7 p90 -137.85 4.96 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.9 OUTLIER 167.23 57.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.529 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -70.24 53.7 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.51 15.3 31.78 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.561 1.163 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.486 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -67.39 -166.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.418 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 7.2 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.518 ' O ' ' CD2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.91 63.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 1' ' ' CYS . 2.4 m -65.06 -159.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.467 1.105 . . . . 0.0 108.304 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 p -141.35 113.83 6.77 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.484 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 71.45 4.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.787 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.528 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 7.4 p -82.78 -133.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.528 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 32.62 91.24 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.616 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 3.82 5.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.414 1.744 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 6.7 tp-100 -140.52 -41.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.463 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 1.1 mt-30 -67.3 -6.32 18.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.559 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -84.33 -36.8 22.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.876 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -87.25 -4.88 59.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.47 ' SG ' ' NE2' ' A' ' 120' ' ' HIS . 3.1 m -102.8 -16.65 15.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 108.277 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -94.2 -40.4 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.736 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.6 173.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.49 17.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.602 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 6.9 p -166.94 81.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.567 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.96 119.39 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.55 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -145.45 126.72 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.687 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.4 ttp180 -77.85 42.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.61 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.9 t -64.41 165.53 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 13.4 ptmt -119.43 122.23 41.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -95.93 103.28 15.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.599 1.187 . . . . 0.0 109.322 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.521 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 4.6 m -107.58 -38.01 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.49 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.3 t -113.16 159.01 19.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 1.1 mp0 -144.79 -175.64 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.36 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.641 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.6 ttpt -151.93 114.76 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.595 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 0.7 OUTLIER -74.97 95.79 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.2 m -102.55 78.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.45 140.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.537 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.4 t -126.9 31.42 5.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.972 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.17 -170.33 7.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.429 1.08 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.1 m-20 -84.41 165.87 17.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -96.09 -161.9 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.522 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.67 0.16 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.217 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -107.89 -0.74 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.66 -8.98 75.66 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.459 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -77.51 152.55 81.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.383 0.696 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.11 129.34 12.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.442 HG22 ' OG ' ' A' ' 31' ' ' SER . 25.3 mt -73.12 -95.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' HD3' ' CD1' ' A' ' 43' ' ' ILE . 17.3 ttmt 73.14 118.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.626 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.1 ptt180 -122.56 67.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.595 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 1.2 mp -38.1 146.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.641 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.3 mm-40 -88.7 -179.51 6.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.927 ' HH ' ' N ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.33 68.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 14.4 tt0 -62.34 68.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.614 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.5 pt -65.97 -176.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.7 OUTLIER -118.39 -4.81 10.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.512 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 14.2 mm100 54.31 111.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.459 HD12 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -118.76 -35.25 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.445 ' N ' HG12 ' A' ' 50' ' ' ILE . 1.5 tttt -144.7 163.66 33.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.513 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -143.27 68.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 111.032 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CZ ' ' CD1' ' A' ' 118' ' ' LEU . 1.3 m-85 -37.84 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.89 73.55 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.72 -162.52 11.65 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.415 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.1 Cg_endo -75.06 -172.81 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.434 1.755 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -93.03 -33.75 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.626 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -74.31 -81.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.626 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 153.7 165.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.596 1.185 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.496 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.7 OUTLIER -105.63 -79.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.542 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.09 -8.7 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.0 m-85 -142.81 94.24 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.555 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -100.99 171.26 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.624 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 7.3 m-85 -122.39 154.9 37.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.606 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.9 t -171.91 -170.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.476 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.57 146.39 32.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.515 ' HB3' HD12 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.0 -161.26 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER 58.73 -168.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.06 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 70' ' ' ALA . 15.4 p -68.77 55.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.021 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 51.96 101.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.412 HG21 ' N ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -102.59 -37.91 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 0.8 OUTLIER -133.83 20.11 3.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 108.256 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.48 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.04 -163.11 11.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.422 1.076 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.546 ' O ' ' C ' ' A' ' 75' ' ' SER . 62.7 t -110.23 5.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 74' ' ' VAL . 90.0 p 26.7 85.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.927 ' N ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -103.31 133.08 48.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.333 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.52 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.1 p30 -120.17 -4.63 10.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.575 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.4 t 72.96 -49.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -54.67 -11.83 3.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.54 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -120.57 -36.69 0.77 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.54 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -101.26 -96.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 0.725 . . . . 0.0 109.328 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.575 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.25 -82.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.555 ' O ' ' O ' ' A' ' 106' ' ' PRO . 1.3 mp0 -148.21 158.24 43.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.817 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 3.0 p90 -142.35 152.37 42.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.696 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.23 4.49 26.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.817 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.04 105.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.736 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -130.96 111.02 11.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.426 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -144.31 177.98 22.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -49.79 -26.66 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.238 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.524 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 76.83 175.43 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.538 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.7 tp10 -132.98 5.24 3.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.1 -121.36 3.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.78 142.81 50.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.478 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 79.93 -5.71 61.38 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.561 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -172.73 147.22 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.789 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.555 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.16 -169.53 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.406 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -125.55 132.28 52.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.0 109.65 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.528 ' CD1' ' CG1' ' A' ' 86' ' ' ILE . 10.6 pt -145.02 135.74 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.561 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 1.4 p -137.98 162.88 32.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.561 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -60.89 -27.6 68.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.413 ' SG ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -77.11 -31.04 55.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 108.3 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.414 ' O ' HG12 ' A' ' 104' ' ' ILE . 3.2 t0 -80.9 170.09 16.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.223 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.876 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.27 118.87 13.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 111.058 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.561 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.1 pt -165.26 135.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.468 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.73 158.26 31.71 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.572 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.98 7.4 2.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.687 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 9.2 t90 74.57 -58.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 107.998 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.495 ' O ' ' CG2' ' A' ' 109' ' ' THR . 53.7 t0 -69.45 51.22 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 8.5 p -158.32 -51.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.708 ' C ' ' O ' ' A' ' 109' ' ' THR . 53.6 mt 5.52 -107.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.387 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 145.51 -39.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.615 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.66 -64.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 110.451 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.508 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 2.9 m -48.54 -26.85 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.729 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -83.75 -35.43 24.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.389 1.055 . . . . 0.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.41 ' HG3' HD12 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -68.91 -41.55 78.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.508 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.55 -15.13 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.637 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -97.83 -8.71 27.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.037 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.569 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 49.5 mt -77.29 -29.85 53.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.53 -9.98 22.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.619 ' CE1' ' OG ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -90.29 30.44 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.62 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 120' ' ' HIS . 10.3 mmt-85 66.7 -116.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.607 1.192 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.553 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 32.4 p90 -137.34 4.51 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.553 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.1 OUTLIER 172.82 65.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.58 ' HB2' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.31 54.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 48.07 22.33 2.14 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.401 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -57.81 -169.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.248 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 71' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.0 63.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.518 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 2.1 t -95.93 161.17 14.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 37.2 p -97.27 127.52 38.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.94 101.39 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.548 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.6 p -121.52 -132.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.548 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.39 90.47 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.394 0 O-C-N 124.458 1.099 . . . . 0.0 109.605 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.06 -28.8 8.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.441 1.759 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 6.0 tp-100 -115.53 -31.62 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.531 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -70.42 -6.92 39.19 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.599 ' O ' ' CD2' ' A' ' 103' ' ' PHE . . . -84.7 -36.72 21.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.408 1.067 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.911 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.1 m-85 -90.19 7.25 39.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 6.4 m -116.4 -8.72 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 108.34 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.531 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -105.36 -38.91 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.765 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.76 172.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.78 14.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 13.6 p -165.68 87.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.598 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -98.78 120.06 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.541 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -145.7 125.98 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.68 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.1 mtp180 -76.96 39.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.571 1.169 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.62 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.9 t -63.75 163.27 11.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.49 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 14.6 ptmt -118.62 122.3 42.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.49 101.04 12.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.48 ' CG1' HG12 ' A' ' 78' ' ' VAL . 5.3 m -104.28 -34.87 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.515 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.0 t -116.88 161.7 18.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.051 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.2 mp0 -144.36 -176.38 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.676 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.0 ttpt -152.1 113.09 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.3 tt0 -75.0 92.05 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.421 HG23 ' NE2' ' A' ' 44' ' ' GLN . 11.5 m -99.28 95.48 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.496 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.7 m-20 -44.9 146.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.544 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.2 t -133.08 18.71 4.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.86 -175.24 23.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.2 m120 -84.66 164.87 18.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 0.754 . . . . 0.0 109.238 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.4 t0 -94.52 -162.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.525 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -80.08 0.84 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -107.93 -0.71 21.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 -8.66 76.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -78.87 154.09 77.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 131.54 14.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.544 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 47.1 mt -73.31 -83.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.33 123.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.639 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 2.3 ptt180 -128.82 67.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 28' ' ' GLU . 1.1 mp -40.54 143.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.676 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.5 mm-40 -86.52 -177.78 6.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -137.59 68.76 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.8 tt0 -62.03 71.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.616 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.9 pt -70.64 -176.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -119.99 10.11 11.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.568 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.0 mm100 36.8 100.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.5 ' CD1' ' OE2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -108.64 -33.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.536 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -143.93 162.83 35.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.3 OUTLIER -144.46 70.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 111.044 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.554 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 1.3 m-85 -36.46 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HB3' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -132.02 80.94 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.179 . . . . 0.0 109.341 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.95 -160.86 10.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.573 1.17 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.49 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.02 -171.44 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -94.68 -33.6 12.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.607 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -72.84 -79.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.607 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.3 t70 148.2 165.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.393 1.058 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.49 HD12 ' CG ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -106.88 -78.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.501 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 74.23 -9.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.569 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -142.36 96.35 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.562 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -99.65 169.35 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.632 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -123.24 150.0 44.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.576 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 7.8 t -165.92 -163.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.495 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -107.66 153.51 41.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.548 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.01 -159.23 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.529 1.805 . . . . 0.0 111.005 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.412 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.4 OUTLIER 58.76 -168.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.975 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.86 48.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.03 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 67.53 100.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.505 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -109.29 -34.61 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 99' ' ' THR . 12.1 m -127.22 8.58 6.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.289 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.606 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.8 -149.94 5.13 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.523 ' O ' ' C ' ' A' ' 75' ' ' SER . 87.2 t -117.67 3.83 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.523 ' C ' ' O ' ' A' ' 74' ' ' VAL . 90.1 p 28.34 83.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.622 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.44 129.65 50.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.588 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -117.0 -8.38 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.588 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 1.4 t 75.49 -28.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.56 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.59 -11.19 34.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.501 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -128.57 -34.21 0.54 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -95.78 -101.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.472 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.74 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.515 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -161.7 166.19 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 110.309 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.797 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.4 p90 -149.75 152.36 35.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.696 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.33 4.88 25.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.797 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.08 104.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.765 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -129.82 109.51 10.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -144.88 178.17 22.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -47.03 -38.69 11.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.533 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 85.43 176.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.542 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.6 tp10 -134.55 5.97 3.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.595 1.184 . . . . 0.0 110.345 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.02 -121.73 3.84 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.496 1.123 . . . . 0.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.405 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -130.13 144.44 51.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.481 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.52 -4.48 59.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.26 144.0 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 109.258 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.562 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.77 -168.35 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.632 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -130.2 128.46 41.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.588 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.526 ' CD1' HG13 ' A' ' 86' ' ' ILE . 4.0 pt -140.13 141.43 33.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.538 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -138.03 164.51 28.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.402 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.606 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.4 pt? -58.86 -48.07 82.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.45 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 2.6 t -61.32 -27.63 68.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 108.385 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.487 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.3 t0 -77.87 165.75 23.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.911 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.23 117.63 12.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 103' ' ' PHE . 6.4 pt -164.99 135.08 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.542 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.57 158.6 32.65 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.615 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.98 11.19 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.68 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 19.4 t90 71.57 -61.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.94 -1.134 . . . . 0.0 107.94 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.491 ' O ' HG22 ' A' ' 109' ' ' THR . 32.3 t70 -69.6 53.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.684 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.4 p -158.87 -53.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.684 ' C ' ' O ' ' A' ' 109' ' ' THR . 72.5 mt 9.48 -107.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 145.85 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.059 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.591 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.2 -64.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.393 1.058 . . . . 0.0 110.413 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 15.2 m -49.55 -26.03 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.176 . . . . 0.0 110.401 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.721 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -84.01 -36.28 23.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.488 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -69.23 -42.29 75.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.539 ' NZ ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -62.07 -15.06 42.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.612 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.95 -21.6 18.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.024 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.491 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 75.2 mt -63.88 -29.24 70.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -88.06 -8.86 54.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.555 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 0.1 OUTLIER -81.81 6.76 14.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.575 1.172 . . . . 0.0 109.631 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.487 ' CB ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 62.07 -85.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.554 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.2 OUTLIER -151.45 91.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.404 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 1.7 tt0 55.38 67.46 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.555 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -68.64 57.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 111.011 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 49.77 25.73 7.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -171.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 71' ' ' VAL . 27.2 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -172.76 46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.3 m -58.39 -162.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.127 . . . . 0.0 108.263 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.2 p -143.18 117.92 6.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.05 73.86 4.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 7.4 p -83.98 -132.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.534 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 31.42 90.86 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 0.0 109.506 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 5.06 4.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.457 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 9.1 tp-100 -142.08 -40.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.3 mt-30 -70.16 -0.94 8.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.565 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -89.2 -34.02 16.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.865 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.3 m-85 -88.98 -20.46 24.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 4.7 m -86.81 -13.45 45.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 108.36 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.91 -43.06 7.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.704 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -51.88 169.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -149.6 16.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.548 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 6.2 p -164.57 82.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.576 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -97.47 120.63 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.535 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.1 pt -145.94 125.54 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.646 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 17.4 mtp180 -77.35 41.13 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.622 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.4 t -62.65 173.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 110.339 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 14.5 ptmt -127.34 119.55 26.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.612 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.89 103.14 15.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.508 ' CG1' HG12 ' A' ' 78' ' ' VAL . 2.8 m -106.18 -37.04 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.516 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -110.47 167.55 10.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -152.72 -175.69 5.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.246 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.667 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -152.02 115.2 4.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.543 ' CG ' HD13 ' A' ' 43' ' ' ILE . 1.2 tt0 -76.48 93.97 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.408 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 30.8 m -109.95 119.18 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 1.8 m-20 -68.13 155.33 39.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.47 ' OG ' HG23 ' A' ' 40' ' ' ILE . 4.4 t -137.27 20.65 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.75 179.31 49.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.462 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -83.3 162.94 20.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.6 t70 -94.97 -160.62 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.526 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -81.67 -0.15 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -108.24 -0.81 20.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.06 -9.47 74.59 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.462 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -77.21 152.89 82.07 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.91 11.83 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.554 1.818 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.47 HG23 ' OG ' ' A' ' 31' ' ' SER . 55.9 mt -65.43 -86.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.478 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 19.7 ttmm 74.97 127.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.636 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -131.83 69.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.543 HD13 ' CG ' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -37.98 148.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.667 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.6 mm-40 -89.81 177.31 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.988 ' HH ' ' N ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.68 67.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.516 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 11.2 tt0 -62.48 70.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.622 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.4 pt -65.7 -174.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -124.64 0.57 8.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 55.16 124.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.446 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -131.5 -33.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -151.12 165.04 35.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -144.2 71.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.646 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -42.21 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -129.07 62.69 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.31 -159.41 12.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD3' HG22 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.08 -167.43 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -94.38 -36.22 12.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -80.21 -80.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.522 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t0 155.58 170.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.461 HG13 ' CD1' ' A' ' 19' ' ' ILE . 1.4 mm -100.14 -71.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.13 -9.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.603 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -146.64 99.25 3.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.525 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -104.52 171.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.654 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 11.1 m-85 -124.04 145.53 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.064 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.571 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 9.2 t -162.42 -166.54 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.472 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -103.04 149.91 37.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.503 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.05 -160.46 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.45 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.41 -160.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.575 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 47.9 t -80.21 25.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.991 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 89.89 99.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 1' ' ' CYS . 0.7 OUTLIER -105.92 -40.41 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 21.0 m -126.24 20.13 7.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 108.341 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.536 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -155.65 -158.49 8.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.523 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 26.0 t -113.85 -0.14 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 32.12 88.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.05 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.988 ' N ' ' HH ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -103.39 133.96 47.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.54 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -116.91 -7.01 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.569 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 72.0 -53.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.468 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -49.43 -14.52 0.6 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.575 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -116.49 -35.98 1.13 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.575 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -101.26 -99.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.221 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.569 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 169.51 -83.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.558 ' O ' ' O ' ' A' ' 106' ' ' PRO . 5.7 mp0 -148.2 148.77 30.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.835 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.4 p90 -129.33 153.94 47.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.61 1.194 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.693 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.11 2.79 37.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.835 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.12 103.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.799 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -127.99 109.25 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 89' ' ' LYS . . . -146.15 167.74 27.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.161 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' GLY . 1.6 tttm -36.88 -34.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.519 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . 81.31 176.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.531 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.4 tp10 -134.25 7.73 3.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.05 -121.92 4.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.54 145.34 51.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.589 0.817 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 76.91 -2.92 58.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.66 147.36 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 0.731 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.531 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -150.05 -168.96 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.406 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -127.28 132.26 50.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.567 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.51 ' CD1' ' CG1' ' A' ' 86' ' ' ILE . 10.1 pt -145.46 135.29 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.568 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 5.9 p -135.74 163.27 30.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.536 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.1 OUTLIER -62.35 -28.55 69.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -26.92 51.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 108.292 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.413 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.7 t70 -83.83 172.48 12.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.865 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -72.64 119.2 16.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.568 ' CD1' ' O ' ' A' ' 99' ' ' THR . 5.2 pt -165.57 134.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.69 157.64 31.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.58 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 10.62 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.463 1.77 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.519 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 15.8 t90 71.89 -59.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.49 ' O ' ' CG2' ' A' ' 109' ' ' THR . 25.6 t70 -68.74 51.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.7 p -158.66 -54.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.688 ' C ' ' O ' ' A' ' 109' ' ' THR . 48.2 mt 7.43 -108.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 147.74 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.615 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.63 -65.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.435 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.506 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 2.4 m -48.23 -24.0 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.709 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -86.88 -39.58 15.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.422 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -65.19 -38.99 92.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.5 -18.46 59.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.614 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -92.81 -11.46 33.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.945 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.645 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 63.3 mt -85.02 -21.84 29.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.511 ' ND2' ' N ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -85.49 -48.63 8.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.688 ' CD2' ' O ' ' A' ' 120' ' ' HIS . 0.3 OUTLIER -78.15 49.09 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.507 ' O ' ' HB3' ' A' ' 122' ' ' TYR . 72.8 mmt-85 63.65 -72.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.52 ' O ' ' O ' ' A' ' 12' ' ' PHE . 4.4 p90 177.17 -31.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 2.2 tt0 -145.94 63.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.514 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -75.72 54.6 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 55.93 30.59 57.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.7 -171.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.243 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.557 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 17.1 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.422 ' N ' HD23 ' A' ' 100' ' ' LEU . 0.0 OUTLIER 62.59 8.85 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 1' ' ' CYS . 2.9 m -60.91 172.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 108.389 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.9 p -108.66 108.5 60.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.421 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -75.04 127.3 10.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.538 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 9.9 p -153.73 -134.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.538 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 37.42 89.93 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.94 8.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.523 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.8 OUTLIER -136.45 -42.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.534 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -62.44 -7.96 5.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.606 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -81.8 -34.7 30.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.864 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.3 m-85 -90.3 2.57 55.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.461 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.6 m -110.03 -13.32 14.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 108.276 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.502 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -100.08 -41.45 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.76 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.03 170.94 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.87 12.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 4.6 p -166.68 93.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.553 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -101.03 122.12 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.539 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.88 124.72 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.674 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 5.3 mtm180 -77.84 38.66 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.082 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.596 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.3 t -61.47 170.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 15.4 ptmt -124.49 120.49 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.545 ' O ' ' CG2' ' A' ' 78' ' ' VAL . . . -91.68 105.0 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.485 HG13 ' CG1' ' A' ' 78' ' ' VAL . 1.3 m -106.88 -37.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.531 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -113.05 167.14 10.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -150.04 -173.41 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.0 ttpt -154.12 113.44 3.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.511 ' CG ' HD13 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -76.51 91.53 3.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.408 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 32.0 m -106.15 108.31 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.27 148.95 49.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.457 ' O ' ' OG ' ' A' ' 31' ' ' SER . 3.1 t -130.24 26.27 5.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.932 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.39 -177.35 33.17 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.565 1.165 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.487 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -84.23 163.69 19.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.5 t0 -95.39 -161.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.524 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.5 mp -80.71 0.7 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.18 -1.06 20.59 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.52 -8.64 76.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.416 1.072 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.487 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.76 152.16 77.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.9 129.23 12.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.411 1.742 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 41' ' ' LYS . 54.4 mt -68.08 -89.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 20.3 ttmm 74.04 126.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.665 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -132.14 69.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.512 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -37.94 150.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 10.9 mm-40 -92.57 178.92 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.552 ' O ' ' N ' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -135.7 69.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.531 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.2 tt0 -63.78 66.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.569 1.168 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.599 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.0 pt -65.8 -178.29 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 9.5 ttpt -115.55 -7.53 12.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.175 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.527 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.6 mm100 56.9 112.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.438 HG12 ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -120.57 -34.35 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -144.27 163.62 33.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.343 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.473 ' O ' ' CG ' ' A' ' 52' ' ' MET . 3.5 ptp -145.37 72.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.674 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 1.7 m-85 -42.81 -74.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 18' ' ' VAL . 10.5 tptp -128.63 164.44 22.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 128.57 -140.82 12.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.563 1.164 . . . . 0.0 111.085 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -165.9 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.34 -29.5 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -68.73 -80.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.557 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.2 t70 154.62 159.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.529 HG13 ' SD ' ' A' ' 96' ' ' MET . 1.4 mm -99.87 -79.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HG3' ' CG ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER 75.06 -9.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -144.55 97.95 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 111.021 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.542 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -106.72 168.72 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.646 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.7 m-85 -120.9 154.16 36.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.546 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 8.5 t -167.49 -165.34 0.66 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.481 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -103.51 149.13 36.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.512 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.02 -157.95 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.82 -170.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 t -69.78 53.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.415 ' CA ' ' HB3' ' A' ' 75' ' ' SER . . . 56.89 103.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.477 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -111.75 -38.97 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.557 ' HA ' ' N ' ' A' ' 1' ' ' CYS . 24.7 m -123.0 15.0 9.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.58 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.15 -157.11 7.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.127 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.496 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 81.1 t -110.44 -0.82 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 0.802 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 74' ' ' VAL . 15.0 p 32.51 84.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.063 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.645 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.48 140.59 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.472 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -126.93 2.02 6.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.245 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 2.5 t 68.95 -56.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -57.3 -9.28 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.413 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.42 -17.69 4.74 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.34 -90.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.72 -67.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.532 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -164.31 165.32 21.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.801 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.5 p90 -150.94 152.45 33.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.667 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.3 0.41 45.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.801 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 13.9 101.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.76 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -128.44 107.74 9.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.416 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -139.27 175.35 21.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.097 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -47.41 -31.23 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 84.38 -179.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.389 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.58 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.1 tp10 -135.72 -37.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.63 -142.05 6.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.073 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.91 129.38 54.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 79.26 3.93 88.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -170.91 134.09 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.58 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -137.79 -160.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.53 125.62 21.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.624 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.524 ' CD1' HG13 ' A' ' 86' ' ' ILE . 3.4 pt -139.25 139.79 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.574 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 1.4 p -137.51 166.07 24.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.58 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -63.27 -33.74 76.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -29.53 63.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.257 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.423 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 14.8 t0 -78.36 170.14 17.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.864 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.7 118.01 14.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.574 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.7 pt -165.02 133.58 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.481 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -152.51 157.82 33.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.562 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 8.4 2.44 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' A' ' 109' ' ' THR . 10.6 t90 73.51 -58.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.989 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 109' ' ' THR . 18.5 t70 -68.16 51.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.8 p -158.32 -54.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.708 ' C ' ' O ' ' A' ' 109' ' ' THR . 45.3 mt 6.51 -107.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.659 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 145.01 -39.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.616 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.57 -65.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.523 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 2.5 m -49.21 -24.79 1.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.453 1.096 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.707 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -85.65 -30.7 23.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.432 ' HG3' HD12 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -76.16 -40.84 51.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.64 ' NZ ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -63.11 -18.66 63.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.666 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.45 -14.03 29.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.056 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.571 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 57.5 mt -69.99 -30.86 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -74.09 -34.51 64.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.64 ' CE1' ' NZ ' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -59.65 105.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.589 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.525 ' O ' ' CE ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -34.62 -34.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.52 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.1 OUTLIER 165.24 108.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.461 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 1.7 tt0 44.76 47.76 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.579 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -68.85 56.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 61.46 21.77 60.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.421 1.076 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.437 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -54.29 -173.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 46.04 35.54 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.55 -161.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 108.364 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.7 p -137.24 118.27 10.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.456 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.87 97.19 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.564 1.823 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.503 ' CG2' ' H ' ' A' ' 7' ' ' HIS . 7.6 p -117.55 -133.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.503 ' H ' ' CG2' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 34.44 86.51 0.13 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.638 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.03 4.57 4.63 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.512 1.796 . . . . 0.0 111.0 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.509 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.3 OUTLIER -141.66 -44.48 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.4 mt-30 -63.73 -6.64 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.607 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -81.73 -37.14 27.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.854 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 2.0 m-85 -88.03 2.42 51.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 3.1 m -111.79 -15.22 13.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.02 -40.19 8.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.768 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.95 173.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.78 15.16 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.525 HG13 ' CB ' ' A' ' 90' ' ' ALA . 10.7 p -166.47 87.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.657 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.2 120.37 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.58 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.8 OUTLIER -145.49 124.63 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.172 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.608 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.6 tmm_? -78.63 41.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.65 HG22 ' CE1' ' A' ' 84' ' ' TYR . 1.1 t -63.55 175.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.491 ' N ' ' HG1' ' A' ' 21' ' ' THR . 16.3 ptmt -129.0 119.13 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.554 ' O ' ' CG2' ' A' ' 78' ' ' VAL . . . -91.6 105.0 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.43 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 2.9 m -107.83 -36.21 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.0 t -115.51 163.25 16.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.055 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 2.2 mp0 -148.13 -176.54 5.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.2 ttpt -151.29 111.71 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.504 ' HA ' HD13 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -74.8 92.55 2.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.1 m -102.5 86.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -46.87 147.48 1.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.365 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.514 ' OG ' HG23 ' A' ' 40' ' ' ILE . 3.3 t -132.29 30.86 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.07 -173.27 10.19 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -83.97 165.25 18.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.3 t0 -95.64 -161.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.526 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.52 0.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -107.41 -1.93 21.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.31 -7.99 79.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.488 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -79.29 153.41 76.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.01 129.04 11.96 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.521 1.8 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.514 HG23 ' OG ' ' A' ' 31' ' ' SER . 59.6 mt -70.52 -95.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 25.4 ttmt 74.81 121.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.208 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.635 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -125.83 66.04 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -35.43 146.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.653 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.1 mm-40 -88.45 -179.49 6.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.882 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -138.07 66.53 1.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.484 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.0 tt0 -63.05 69.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.643 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.0 pt -66.03 -169.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.523 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -126.64 0.03 6.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 51.66 112.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.485 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -122.38 -31.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.12 163.59 37.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.71 69.55 1.26 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 118' ' ' LEU . 1.2 m-85 -37.96 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.533 1.146 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.74 73.52 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.35 -164.66 11.81 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HD3' ' CG2' ' A' ' 17' ' ' VAL . 18.0 Cg_endo -75.08 -168.74 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.561 1.822 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -88.73 -36.92 15.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.651 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.31 -77.86 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.651 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.7 t70 140.87 159.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.592 ' CD1' ' O ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -112.08 77.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.24 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.463 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -72.87 -9.63 58.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 110.346 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 4.8 m-85 -131.96 89.95 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.528 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.4 OUTLIER -92.52 168.49 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.628 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 15.7 m-85 -120.85 148.67 43.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.566 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 8.9 t -164.95 -166.18 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.448 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.478 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -107.08 147.84 35.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.57 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -157.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.02 -170.81 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.945 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.67 52.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.77 98.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -104.62 -34.82 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 99' ' ' THR . 67.3 m -134.02 21.39 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.257 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.486 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -158.37 -157.79 8.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' A' ' 75' ' ' SER . 91.3 t -113.5 1.72 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.508 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.3 OUTLIER 30.07 82.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.96 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.882 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -102.94 134.11 46.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.61 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -119.78 -8.7 9.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.61 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 2.9 t 73.92 -13.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -80.08 -9.15 86.97 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.498 1.123 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.509 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -129.91 -32.02 0.57 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -96.41 -100.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 0.789 . . . . 0.0 109.25 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 164.86 -57.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -167.1 166.5 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.337 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.8 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.5 p90 -151.14 152.56 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.69 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.1 3.11 36.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.8 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.83 101.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.768 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -127.39 108.35 10.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.03 179.15 19.61 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.73 -32.65 14.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 0.813 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 85.65 174.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.3 tp10 -136.45 -42.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -155.0 -135.23 2.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.065 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.592 ' O ' ' CD1' ' A' ' 60' ' ' ILE . 0.2 OUTLIER -113.59 -38.81 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 59' ' ' ASP . . . -106.33 14.39 43.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.577 ' N ' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -172.46 132.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.543 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -134.44 -170.74 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.413 ' O ' HG21 ' A' ' 98' ' ' ILE . 1.1 m170 -122.26 130.25 53.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.519 ' CD1' HG13 ' A' ' 86' ' ' ILE . 6.3 pt -142.74 131.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.589 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 7.0 p -131.43 163.82 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.52 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -62.97 -28.29 69.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -28.95 49.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.438 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 24.2 t0 -80.71 170.2 16.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.854 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.35 117.79 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.579 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.5 pt -165.65 134.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.57 157.69 32.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.598 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.95 7.48 2.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.591 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 7.2 t90 75.49 -60.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 107.96 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.51 ' O ' ' CG2' ' A' ' 109' ' ' THR . 38.2 t0 -69.33 52.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.153 . . . . 0.0 109.219 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.2 p -159.08 -56.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.676 ' C ' ' O ' ' A' ' 109' ' ' THR . 54.9 mt 10.98 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 147.23 -41.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.939 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.5 -64.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.509 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 4.3 m -49.62 -27.33 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.738 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -82.8 -33.17 27.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.492 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.7 OUTLIER -73.29 -41.95 63.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.62 ' NZ ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -61.81 -19.83 62.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.637 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.37 -11.35 35.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 47.7 mt -72.77 -29.34 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -96.98 10.23 39.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.62 ' CD2' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -86.58 7.03 27.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.584 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 65.92 -66.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.836 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 1.1 p90 -176.84 94.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.448 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 2.4 tt0 53.47 56.85 6.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.559 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.81 54.41 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 55.83 29.5 55.0 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.432 ' HB3' ' ND1' ' A' ' 120' ' ' HIS . 0.7 OUTLIER -61.98 -171.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 110.233 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.608 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 2.6 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.428 ' OG ' ' C ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 72.62 2.64 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.055 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.29 157.4 8.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 108.276 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.8 p -103.2 107.31 55.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.061 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 125.85 9.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.782 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.625 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.9 p -152.34 -133.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.625 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.94 86.22 0.14 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.557 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 0.31 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.513 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.4 OUTLIER -136.04 -43.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.483 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -62.49 -7.37 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.371 1.044 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.634 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.39 -34.98 25.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.228 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.865 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -90.54 5.04 49.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.493 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 3.5 m -114.35 -8.77 12.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.337 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.11 -39.58 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.755 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.08 172.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.98 16.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.536 HG13 ' CB ' ' A' ' 90' ' ' ALA . 12.5 p -165.77 83.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.6 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -97.15 118.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.523 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.1 pt -143.78 124.86 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.665 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.7 mtm180 -76.97 38.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.617 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.2 t -61.05 173.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.1 ptmt -126.51 119.94 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.77 97.95 10.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.418 ' CG1' ' HE2' ' A' ' 22' ' ' LYS . 5.4 m -101.23 -36.14 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.0 t -112.39 162.29 15.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.3 mp0 -149.6 -179.33 7.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.0 ttpt -146.53 111.56 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.506 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.3 tt0 -74.08 92.11 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.443 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 33.6 m -107.13 118.0 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 1.4 m-20 -67.32 153.31 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.8 t -135.62 24.93 3.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.44 179.76 35.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.4 m120 -84.34 164.11 19.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.6 t70 -95.09 -161.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.522 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.75 0.88 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -108.73 -1.57 19.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.46 -8.39 79.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.481 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.5 p-10 -78.24 152.31 78.94 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.66 12.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.446 HG22 ' OG ' ' A' ' 31' ' ' SER . 62.5 mt -67.12 -87.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.373 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 20.2 ttmm 75.24 128.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.67 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -132.21 65.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.517 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -36.23 144.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.67 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 9.0 mm-40 -87.57 178.87 6.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.624 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.73 67.02 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.6 tt0 -62.23 70.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.617 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.1 pt -67.34 -175.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.429 1.081 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.6 ttpt -122.0 -1.75 9.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.469 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.34 119.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.459 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -127.74 -31.74 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.482 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.81 167.82 25.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.363 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.7 68.19 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.665 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 1.1 m-85 -37.98 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.36 66.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.83 -158.77 10.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -177.76 3.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.482 1.78 . . . . 0.0 110.963 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.52 -34.44 25.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.3 -78.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.9 t70 152.31 171.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.494 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.6 mm -97.95 -71.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.605 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.95 -8.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.225 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.543 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.6 m-85 -146.48 99.2 3.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.514 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -107.54 168.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.634 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.0 m-85 -123.39 149.49 44.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.624 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.2 t -164.63 -166.26 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.511 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.36 150.43 38.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.517 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.97 -159.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.4 OUTLIER 57.87 -168.59 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.032 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -69.6 53.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.458 ' HB3' ' CA ' ' A' ' 74' ' ' VAL . . . 53.31 99.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.574 ' CG2' ' N ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -103.05 -55.84 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.608 ' HA ' ' N ' ' A' ' 1' ' ' CYS . 79.8 m -104.19 11.09 35.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.271 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.572 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.84 -150.55 5.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.604 1.19 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.517 ' O ' ' C ' ' A' ' 75' ' ' SER . 75.8 t -120.45 0.51 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.517 ' C ' ' O ' ' A' ' 74' ' ' VAL . 6.3 p 28.88 82.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.12 . . . . 0.0 109.939 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.599 HD12 ' CD2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.57 132.33 49.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 80' ' ' GLY . 2.7 p30 -108.86 -8.95 15.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 23' ' ' ALA . 3.0 t 70.27 -52.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -48.44 -13.86 0.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -119.12 -29.66 1.75 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.525 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.23 -92.98 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 168.58 -86.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 8.0 mp0 -150.04 147.0 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.242 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.796 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 1.8 p90 -124.37 154.97 39.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.597 1.185 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.689 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.76 2.94 39.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.796 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.69 102.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.755 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -128.05 109.24 11.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.436 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -144.27 175.25 24.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -42.27 -37.82 1.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 0.746 . . . . 0.0 109.25 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 84.05 174.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.533 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.5 tp10 -134.99 9.02 3.52 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 125.1 -122.06 4.52 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.567 1.167 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 2.6 m-20 -130.15 144.75 51.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 77.58 -2.73 62.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.36 144.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.543 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -147.91 -169.57 3.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.414 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -128.37 128.28 44.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.539 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.2 pt -139.8 144.22 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.557 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.5 OUTLIER -143.91 167.48 22.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.572 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.8 OUTLIER -61.8 -49.34 76.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -18.44 60.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.38 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.427 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.0 t0 -89.63 166.6 13.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.865 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -70.28 115.83 9.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.557 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.2 pt -164.78 130.0 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -151.04 157.28 35.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.585 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.05 10.9 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.525 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 13.2 t90 71.05 -59.31 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 108.065 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.502 ' O ' ' CG2' ' A' ' 109' ' ' THR . 32.0 t0 -68.85 51.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.692 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.6 p -159.07 -54.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.692 ' C ' ' O ' ' A' ' 109' ' ' THR . 38.9 mt 6.74 -107.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 147.06 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.5 -64.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.513 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 1.6 m -49.45 -23.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.672 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -86.37 -36.1 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.246 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.491 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.3 mtmt -70.41 -42.06 72.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.592 ' NZ ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -62.11 -18.87 62.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.64 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.81 -13.14 27.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.545 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 40.6 mt -69.32 -30.03 67.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -95.57 11.2 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.605 ' CD2' ' CB ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -96.83 13.69 27.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.572 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.479 ' CA ' ' HD3' ' A' ' 54' ' ' LYS . 8.0 mmm180 54.85 -87.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.569 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 2.1 t80 -148.47 92.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.493 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 1.8 tt0 58.69 53.77 5.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.605 ' CB ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.38 55.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 58.97 27.79 62.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.6 OUTLIER -62.17 -167.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.409 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 4.2 tp10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.413 ' C ' ' N ' ' A' ' 3' ' ' CYS . 54.8 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 52.55 17.21 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 0.0 OUTLIER -74.74 161.82 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.3 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.477 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 60.0 p -83.79 113.12 45.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.3 Cg_endo -74.99 96.3 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.441 1.759 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.604 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.0 p -119.04 -132.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.57 85.68 0.15 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.642 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -16.99 19.77 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.544 1.813 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.2 OUTLIER -121.44 -41.69 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.0 mt-30 -64.14 -6.03 5.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.192 . . . . 0.0 110.328 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.612 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.47 -38.28 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.899 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -87.93 -0.75 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 8.1 m -107.31 -13.87 15.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -99.0 -40.61 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.721 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.78 171.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.32 14.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 2.7 p -164.59 87.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.618 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -99.07 118.89 46.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.574 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -145.76 125.8 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.404 1.065 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.703 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.2 ttp180 -76.67 41.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.657 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.1 t -62.39 169.98 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.487 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 15.0 ptmt -125.32 119.81 29.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.14 103.13 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.494 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 3.4 m -106.12 -38.68 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.506 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -113.44 160.91 17.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.923 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.4 mp0 -144.79 -176.52 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.341 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.631 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.5 ttpt -152.85 114.41 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.461 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.6 tt0 -74.15 91.65 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 5.6 m -97.64 94.09 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.5 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -44.85 144.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.521 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.3 t -132.56 18.9 4.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.014 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.03 -175.03 28.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.3 m-80 -84.63 166.57 16.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.9 t0 -96.16 -162.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.53 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -80.71 0.86 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.84 -0.46 19.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.58 -7.9 79.32 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ASP . 7.4 p-10 -78.7 153.51 78.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.05 129.25 12.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.55 1.816 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.521 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 46.0 mt -70.27 -83.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.552 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.05 123.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.615 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -129.18 66.95 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -39.21 147.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.649 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 9.3 mm-40 -90.06 179.13 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.868 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -135.62 70.57 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.506 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 7.7 tt0 -64.79 67.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.657 HD11 ' CG2' ' A' ' 21' ' ' THR . 0.8 OUTLIER -63.25 -166.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.631 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -133.98 8.72 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.631 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER 47.57 117.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.495 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -123.72 -31.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -150.65 168.75 23.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.494 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -146.87 65.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.388 1.055 . . . . 0.0 110.968 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 24.7 m-85 -42.59 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -124.8 70.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' O ' ' HE1' ' A' ' 52' ' ' MET . . . -124.75 -154.25 8.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.09 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.406 ' HD3' HG21 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.02 -170.01 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.445 1.761 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.04 -35.5 15.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -86.2 -78.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.498 ' CG ' ' N ' ' A' ' 60' ' ' ILE . 4.0 t70 156.64 171.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.498 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.2 mm -98.22 -72.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.599 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 74.53 -9.58 1.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.539 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -146.87 97.17 2.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.573 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -105.69 167.1 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.649 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.4 m-85 -121.22 149.99 42.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.638 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 8.0 t -165.67 -161.82 0.53 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.358 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.497 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -107.8 152.64 41.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.552 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.4 Cg_endo -74.98 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.93 -161.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 22.6 t -81.75 32.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 84.54 95.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.479 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -104.67 -35.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 99' ' ' THR . 17.8 m -127.27 9.67 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.59 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.73 -152.12 5.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' A' ' 75' ' ' SER . 87.8 t -115.36 -0.25 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER 32.47 84.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.056 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.868 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -104.45 137.12 42.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.477 ' OD2' ' NZ ' ' A' ' 81' ' ' LYS . 1.1 p30 -124.21 0.08 8.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.42 1.075 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.571 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.4 t 70.58 -57.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.16 -12.86 0.89 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.561 1.163 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.475 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.73 -29.27 2.08 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.5 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -112.3 -94.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.571 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.71 -83.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.4 mp0 -146.75 159.28 43.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.801 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 3.1 p90 -145.07 151.33 38.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.696 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -81.39 4.43 20.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.801 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.6 OUTLIER 9.99 101.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.735 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -129.74 103.9 7.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -158.63 161.76 32.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -34.43 97.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -62.6 176.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.508 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 16.7 tp10 -126.78 8.54 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.5 -115.76 1.99 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -137.66 140.24 40.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 80.1 -0.59 83.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.06 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.01 145.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.573 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -149.97 -168.04 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.437 ' O ' HG21 ' A' ' 98' ' ' ILE . 1.1 m170 -129.0 129.57 45.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.501 ' CD1' HG13 ' A' ' 86' ' ' ILE . 3.4 pt -140.74 149.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.569 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -147.87 164.92 32.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.433 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.59 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.8 OUTLIER -60.31 -48.41 81.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 4.3 t -61.45 -24.56 66.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 108.253 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.416 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.4 t0 -82.18 167.85 18.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.899 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.14 117.09 12.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.569 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.2 pt -165.03 132.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.89 157.87 32.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.572 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 5.72 3.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.426 1.751 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.703 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 5.6 t90 76.99 -58.14 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.526 ' O ' ' CG2' ' A' ' 109' ' ' THR . 8.7 t0 -69.84 51.12 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.7 p -159.01 -55.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.349 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.682 ' C ' ' O ' ' A' ' 109' ' ' THR . 48.7 mt 10.71 -107.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.79 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.595 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.12 -65.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.488 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 30.5 m -49.84 -28.89 7.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.721 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -81.26 -31.14 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.48 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.5 OUTLIER -73.7 -43.22 59.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.574 ' NZ ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -62.33 -22.47 66.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.673 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -90.65 -19.65 23.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.581 HD23 ' CZ ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -66.83 -29.54 69.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.381 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 120' ' ' HIS . 27.5 p30 -79.84 -22.32 43.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.369 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.581 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 11.8 m170 -67.29 108.49 2.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 109.646 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.468 ' O ' ' CB ' ' A' ' 122' ' ' TYR . 0.0 OUTLIER -35.02 -37.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.584 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.0 OUTLIER 164.62 106.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.442 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 2.2 tt0 44.07 56.39 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.581 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -68.98 55.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 55.03 27.06 44.04 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.434 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -59.94 -166.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.421 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 39.4 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.235 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 72' ' ' CYS . 7.1 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.11 47.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 5.1 t -97.52 162.34 13.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.137 . . . . 0.0 108.337 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.453 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 77.9 p -97.98 110.19 54.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.04 11.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.596 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.8 p -155.54 -133.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 40.4 87.84 0.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.4 Cg_endo -74.93 -2.94 13.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.514 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.6 OUTLIER -133.65 -44.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -60.42 -8.55 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.615 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.53 -34.07 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.863 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -89.68 7.59 35.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 123' ' ' GLN . 1.3 m -116.69 -13.06 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.317 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.91 -34.34 10.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.375 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.725 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -59.52 172.42 0.68 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 88' ' ' GLY . 15.3 m-20 -151.72 14.85 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 5.5 p -166.53 85.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.548 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.58 118.19 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.531 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -142.26 126.53 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.695 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.5 mtm180 -78.39 38.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.631 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.2 t -61.71 165.99 4.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.5 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 14.6 ptmt -120.23 121.65 39.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.553 ' O ' ' CG2' ' A' ' 78' ' ' VAL . . . -93.75 101.17 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 m -104.79 -36.08 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.528 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -113.65 160.56 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -148.52 -176.33 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.614 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.1 ttpt -153.74 113.95 3.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 0.4 OUTLIER -75.12 96.11 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.338 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.6 m -103.26 80.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -44.55 140.19 2.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.508 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.9 t -126.09 32.33 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 58.28 -170.91 4.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.57 1.169 . . . . 0.0 110.955 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.9 m120 -84.31 165.49 18.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.62 -162.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.513 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.7 1.24 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -108.6 -1.12 19.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.05 -8.42 78.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.7 p-10 -78.15 152.69 79.46 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.5 Cg_endo -74.96 129.86 12.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.445 1.761 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.425 HG22 ' OG ' ' A' ' 31' ' ' SER . 37.9 mt -74.71 -94.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.499 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 14.7 ttmt 72.13 120.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.252 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.61 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.2 ptt180 -124.53 67.47 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 1.3 mp -38.89 148.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.663 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 9.9 mm-40 -89.69 177.6 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.888 ' HH ' ' N ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.26 68.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.528 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.0 tt0 -63.4 68.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.616 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 2.9 pt -66.87 -174.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.588 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -121.94 9.31 9.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.588 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.9 mm100 37.94 102.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.5 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -111.46 -34.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.49 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -143.7 161.59 38.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.346 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -143.07 71.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 111.04 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.695 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -37.64 -78.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.922 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.82 70.42 1.39 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.42 -164.8 13.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.486 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.97 -174.81 2.07 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.565 1.824 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.48 -33.17 15.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.623 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -72.35 -78.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.623 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.9 t70 146.57 165.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.497 ' HA ' ' CA ' ' A' ' 94' ' ' GLY . 0.8 OUTLIER -107.89 -79.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.508 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 74.27 -10.2 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.7 m-85 -140.95 93.77 2.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.554 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -101.21 168.21 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.663 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.7 m-85 -123.34 151.65 42.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.649 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 10.0 t -166.97 -164.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.08 . . . . 0.0 110.465 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.465 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -110.77 149.28 40.13 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.499 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.06 -159.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER 58.68 -171.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.03 -179.939 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -68.8 54.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 54.62 95.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.56 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -101.81 -37.53 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.56 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 10.6 m -127.42 16.13 7.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 108.274 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.553 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -156.77 -151.29 5.93 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.515 ' O ' ' C ' ' A' ' 75' ' ' SER . 88.6 t -118.95 4.32 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 74' ' ' VAL . 69.3 p 29.32 81.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.888 ' N ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -103.33 130.68 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.63 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -116.94 -10.22 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.63 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 3.5 t 75.0 -12.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.493 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -79.65 -9.81 86.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.502 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -131.0 -26.6 0.75 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.532 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -100.88 -99.6 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.741 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.548 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 163.92 -57.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.548 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -168.21 168.97 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.804 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.2 p90 -151.77 152.83 33.22 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.688 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.37 2.68 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.804 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.94 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.741 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -127.17 110.57 13.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.227 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 16' ' ' ASP . . . -143.1 -178.82 19.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.43 -33.66 31.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.524 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 83.48 174.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.519 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.9 tp10 -133.25 4.92 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.81 -121.46 3.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.87 140.92 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.497 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 81.04 -2.58 80.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.96 144.25 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.571 0.807 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.554 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.18 -169.49 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.415 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -126.39 130.94 51.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.636 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.528 ' CD1' HG13 ' A' ' 86' ' ' ILE . 6.5 pt -142.7 139.85 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -141.58 162.75 34.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.387 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.553 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.7 OUTLIER -57.04 -46.88 82.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 4.9 t -61.29 -30.07 70.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 108.291 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.407 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.7 t0 -79.1 167.08 21.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.863 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -70.29 115.88 9.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 111.028 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.51 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.1 pt -164.56 130.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.523 ' O ' ' CB ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -149.34 157.45 39.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.595 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.95 10.74 1.61 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.521 1.801 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.506 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 13.3 t90 71.62 -60.65 0.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 107.935 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.499 ' O ' ' CG2' ' A' ' 109' ' ' THR . 15.4 t0 -68.41 52.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.686 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.2 p -159.23 -54.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.421 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.686 ' C ' ' O ' ' A' ' 109' ' ' THR . 60.3 mt 8.48 -107.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 146.1 -41.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.592 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.18 -66.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.514 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 1.2 m -47.78 -25.37 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.698 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -84.4 -34.67 23.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.527 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -70.24 -41.82 73.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.909 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.456 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.18 -19.39 64.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.595 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -93.9 -4.86 49.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.586 HD23 ' CE2' ' A' ' 53' ' ' PHE . 25.9 mt -86.02 -24.19 26.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -100.57 -6.37 25.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.611 ' CD2' ' HB2' ' A' ' 124' ' ' MET . 0.0 OUTLIER -96.84 37.18 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.61 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.45 ' CD ' ' HE2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 68.11 -93.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.549 1.156 . . . . 0.0 110.319 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.508 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 35.0 p90 -173.28 13.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 1.9 tm0? 175.67 50.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.611 ' HB2' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.08 54.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 50.72 23.11 6.42 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.594 1.183 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.6 OUTLIER -65.57 -166.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.436 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 2.5 tp10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.472 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 55.9 m . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 55.18 13.37 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.942 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.417 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 0.5 OUTLIER -64.71 166.32 9.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.251 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.5 p -100.5 107.12 46.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -74.96 118.06 5.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.597 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.3 p -143.63 -133.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.3 97.73 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.573 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.476 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.03 -30.97 6.55 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.5 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -115.49 -34.16 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.571 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -61.61 -12.1 14.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.627 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.45 -35.19 25.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.88 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -90.69 4.31 51.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 4.8 m -113.1 -11.6 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.571 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -101.65 -40.46 6.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.753 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.79 171.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -151.99 16.42 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.58 1.175 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 5.3 p -166.0 83.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.599 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -96.74 117.6 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.534 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -141.81 126.94 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.645 ' NH1' ' CZ2' ' A' ' 107' ' ' TRP . 7.4 mtm180 -79.55 40.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.588 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.4 t -60.36 175.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.0 ptmt -128.53 119.74 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.53 108.26 20.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.524 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 2.4 m -111.7 -37.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 4.0 t -112.28 164.58 13.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.1 mp0 -147.96 -172.49 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.661 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.7 ttpt -153.24 118.79 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.52 ' CB ' HD13 ' A' ' 43' ' ' ILE . 5.2 tt0 -79.77 93.0 5.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.71 ' N ' ' HZ3' ' A' ' 41' ' ' LYS . 35.5 m -106.88 91.43 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.414 ' HA ' ' HE3' ' A' ' 41' ' ' LYS . 1.2 m-20 -50.04 136.01 19.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.579 1.174 . . . . 0.0 109.237 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.469 ' OG ' HG23 ' A' ' 40' ' ' ILE . 4.7 t -116.9 36.47 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 48.17 -169.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.52 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.1 m-20 -84.86 164.77 18.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 0.739 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 2.6 t70 -97.21 -160.85 0.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.515 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -79.86 1.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -105.76 -3.04 22.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.05 -6.17 83.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.52 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 15.5 p-10 -85.47 154.41 59.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.516 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.97 129.65 12.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.777 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.469 HG23 ' OG ' ' A' ' 31' ' ' SER . 95.2 mt -71.69 -81.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.71 ' HZ3' ' N ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER 72.06 120.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.542 ' N ' ' HE2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -137.24 80.48 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 110.294 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -53.02 153.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.944 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.661 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.0 mm-40 -89.54 178.94 6.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 110.23 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.681 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.74 67.42 1.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.7 tt0 -62.65 71.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.615 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 2.8 pt -67.58 -175.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.6 OUTLIER -123.07 -1.07 8.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.514 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.2 125.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.434 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -133.87 -32.8 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.68 167.41 26.51 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.447 1.092 . . . . 0.0 109.197 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -146.61 68.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.607 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -37.8 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 9.6 tptp -127.27 65.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.2 -159.21 10.79 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.491 ' O ' ' CE ' ' A' ' 52' ' ' MET . 18.4 Cg_endo -75.06 178.65 6.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.612 1.849 . . . . 0.0 111.034 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.87 -33.87 34.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.52 -80.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.8 t70 153.43 171.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.501 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.5 mm -98.89 -72.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.574 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 73.7 -7.97 1.48 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.538 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -146.75 96.36 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.54 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -106.32 169.91 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.59 ' CE2' ' OE1' ' A' ' 44' ' ' GLN . 7.6 m-85 -122.55 157.96 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.055 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.681 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 9.0 t -175.12 -160.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.452 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -109.13 147.95 36.97 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.564 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.95 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.35 -168.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.952 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.9 p -70.6 51.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.482 ' CA ' ' HB3' ' A' ' 75' ' ' SER . . . 58.12 107.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.544 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -113.91 -38.52 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.544 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 11.2 m -124.14 12.84 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.553 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.74 -151.38 5.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.497 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 92.4 t -115.34 -0.42 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.482 ' HB3' ' CA ' ' A' ' 70' ' ' ALA . 18.6 p 34.61 88.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.638 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -110.48 134.93 51.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.496 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -125.4 1.84 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.6 t 71.16 -57.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.13 -8.76 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.448 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -119.88 -19.45 4.04 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.448 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -126.56 -94.03 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 0.781 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.555 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.07 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.2 mp0 -145.78 146.66 31.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.82 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.3 p90 -128.29 154.6 45.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.69 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.7 2.6 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.82 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.77 102.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.94 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.753 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -126.84 110.61 13.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 16' ' ' ASP . . . -142.44 -179.37 19.25 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.516 1.135 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -56.43 -22.85 34.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 0.733 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.525 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 76.36 177.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.543 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.7 tp10 -135.61 -42.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.593 ' O ' ' C ' ' A' ' 93' ' ' ASP . . . 165.78 126.12 0.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.593 ' C ' ' O ' ' A' ' 92' ' ' GLY . 1.4 m-20 -24.49 133.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.75 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.427 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 87.05 -6.09 83.96 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.558 1.161 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 92' ' ' GLY . 0.1 OUTLIER -174.19 143.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 0.801 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.543 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -148.85 -170.08 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 129.59 45.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.533 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.532 ' CD1' HG13 ' A' ' 86' ' ' ILE . 4.4 pt -140.71 141.83 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.527 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -139.86 163.41 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.461 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.553 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.8 OUTLIER -57.78 -43.34 85.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.615 1.197 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.421 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -64.47 -33.11 75.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 108.301 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.458 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 6.2 t0 -74.52 166.96 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.88 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -70.48 117.81 12.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.4 pt -164.88 134.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.09 156.98 31.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.588 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -74.96 11.1 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.047 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.645 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 11.8 t90 71.13 -59.77 0.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 108.048 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.504 ' O ' ' CG2' ' A' ' 109' ' ' THR . 25.6 t0 -68.64 51.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.693 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.1 p -159.09 -52.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.693 ' C ' ' O ' ' A' ' 109' ' ' THR . 43.1 mt 6.93 -106.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.65 -41.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.617 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.25 -60.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.614 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 44.8 m -53.13 -23.58 8.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.699 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -86.35 -36.57 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.328 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.475 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.2 mtmt -69.07 -40.04 78.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.223 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.614 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 1.1 pttt -63.14 -17.35 62.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.639 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.92 -14.26 24.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.576 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 48.0 mt -69.71 -29.7 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -92.14 -3.19 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 124' ' ' MET . 0.6 OUTLIER -82.85 10.38 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.587 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 15.1 mmt180 57.37 -81.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.886 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.1 OUTLIER -154.34 97.04 1.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.418 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 2.0 tt0 51.06 61.2 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.515 ' HB2' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -68.67 57.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 -179.929 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.54 26.91 32.59 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.414 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -58.71 -169.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.981 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.48 38.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.47 ' SG ' ' N ' ' A' ' 4' ' ' SER . 2.2 t -55.11 162.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 108.299 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.47 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 87.3 p -99.68 116.44 64.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.481 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.98 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.561 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.0 p -133.31 -133.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.561 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 39.26 84.31 0.18 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.569 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 1.83 7.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.591 1.837 . . . . 0.0 110.946 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.482 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.4 OUTLIER -136.05 -43.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.689 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -63.91 -7.63 8.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.279 -179.942 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.624 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.4 -34.75 28.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.89 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -90.45 4.88 49.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.6 m -113.71 -12.33 12.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 108.345 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.689 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -101.79 -38.94 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.723 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.52 169.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.84 13.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.557 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 13.6 p -166.04 91.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.688 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -101.03 117.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.56 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.7 OUTLIER -143.24 126.28 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.671 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.4 ttp180 -78.76 39.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.657 HG22 ' CE1' ' A' ' 84' ' ' TYR . 1.3 t -61.21 175.16 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.484 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 14.7 ptmt -129.16 118.86 23.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.579 ' O ' ' CG2' ' A' ' 78' ' ' VAL . . . -91.05 104.65 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.47 HG13 ' CG1' ' A' ' 78' ' ' VAL . 2.8 m -107.54 -34.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.239 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -117.49 167.22 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.954 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -150.78 -179.72 7.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.6 ttpt -146.63 111.07 5.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.455 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 10.5 tt0 -73.77 90.02 1.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.165 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.435 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 33.7 m -103.6 124.81 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.82 161.46 23.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.45 ' OG ' HG23 ' A' ' 40' ' ' ILE . 9.8 t -147.92 18.29 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 79.17 176.28 48.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 6.5 m-20 -84.61 162.6 19.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.8 t70 -93.56 -162.55 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.511 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -80.0 0.99 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -108.08 -1.07 20.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.38 -8.16 78.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.49 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.4 p-10 -79.3 153.64 76.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 130.58 13.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.45 HG23 ' OG ' ' A' ' 31' ' ' SER . 26.4 mt -64.12 -80.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.633 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.8 tppt? 72.27 125.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.676 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -129.81 64.13 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -35.55 141.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.676 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.5 mm-40 -85.22 -179.51 7.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.866 ' HH ' ' N ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.35 67.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.576 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.9 tt0 -62.53 70.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.636 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.5 pt -67.12 -168.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -128.81 0.92 5.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.513 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 55.12 121.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.445 HD12 ' NE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -128.74 -30.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 1.5 tttt -150.59 166.59 29.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.461 ' HG3' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.44 60.91 1.22 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.459 1.1 . . . . 0.0 111.063 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.567 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 20.7 m-85 -37.39 -82.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 14.7 tptt -120.71 68.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -125.61 -159.13 10.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD3' ' CG2' ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.03 -173.7 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.36 -33.95 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.22 -80.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.3 t70 152.78 169.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.495 HG23 ' CG ' ' A' ' 96' ' ' MET . 1.4 mm -103.33 -73.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.542 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 74.51 -8.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.609 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -148.74 94.03 2.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.384 1.053 . . . . 0.0 110.952 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.538 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.3 OUTLIER -99.78 170.2 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.716 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -121.38 148.63 44.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.072 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.551 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 8.2 t -163.41 -164.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.495 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.72 150.93 39.7 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.633 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -74.94 -158.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.48 -159.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.939 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.598 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 61.2 p -81.74 24.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.598 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 91.9 95.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.432 HG23 ' CB ' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -101.32 -38.03 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.565 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.1 OUTLIER -131.49 23.98 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 108.324 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.549 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -157.92 -157.24 8.33 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.497 ' CG1' HD22 ' A' ' 76' ' ' LEU . 88.0 t -116.35 0.46 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 0.8 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 74' ' ' VAL . 53.2 p 32.3 81.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 109.959 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.866 ' N ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -102.19 132.31 48.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.553 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -118.76 -7.24 10.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.579 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 4.1 t 71.38 -9.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -84.4 -6.55 85.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.513 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -134.18 -31.17 0.38 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.565 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -95.45 -100.89 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.485 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 165.98 -64.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.554 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -161.37 163.98 30.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.797 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.5 p90 -149.96 151.09 32.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.682 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.43 2.76 31.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.797 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.97 98.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.723 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -124.83 106.28 9.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.406 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -139.36 176.12 21.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.64 -29.74 7.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 81.69 179.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.588 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.3 tp10 -132.89 -37.59 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.0 -133.89 2.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -113.05 133.79 54.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.94 -9.4 60.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.609 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -164.92 143.97 6.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.588 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -140.97 -160.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.079 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.716 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -136.82 125.91 24.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.525 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.1 pt -140.28 146.89 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.565 ' CG2' ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -147.25 165.11 31.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.084 . . . . 0.0 110.38 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.549 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.5 OUTLIER -59.26 -49.13 79.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.462 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 3.3 t -60.33 -23.93 64.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 108.257 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.468 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.6 t0 -84.41 168.75 15.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.89 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -71.99 114.05 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.531 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.5 pt -163.15 132.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.506 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -152.75 157.72 33.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.372 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.581 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.6 Cg_endo -74.9 7.11 2.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.671 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 1.7 t90 74.91 -57.99 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.516 ' O ' ' CG2' ' A' ' 109' ' ' THR . 8.7 t70 -69.37 51.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.893 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.2 p -158.71 -56.82 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.404 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.676 ' C ' ' O ' ' A' ' 109' ' ' THR . 52.9 mt 12.29 -106.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.665 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 144.61 -41.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.605 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.41 -63.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.337 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 23.4 m -51.53 -25.96 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.669 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -83.51 -33.27 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.49 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -72.8 -42.64 63.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.483 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.08 -21.21 66.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.633 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.4 -13.83 27.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.968 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.567 HD23 ' CZ ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -73.42 -26.36 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.28 11.7 38.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.55 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 0.0 OUTLIER -95.15 20.35 9.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 0.0 109.62 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER 56.18 -85.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.794 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 1.0 OUTLIER -156.34 93.78 1.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.92 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 1.6 tt0 57.06 57.57 4.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.55 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -73.09 53.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.9 33.44 78.59 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.522 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.7 OUTLIER -75.32 -160.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.522 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 29.6 tt0 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 71' ' ' VAL . 24.3 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER 161.07 58.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.68 168.84 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.282 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.0 p -106.27 124.16 36.68 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.955 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.438 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.97 96.31 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.534 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.1 p -120.85 -132.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 37.86 84.2 0.19 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 3.36 5.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 113' ' ' THR . 0.4 OUTLIER -139.39 -44.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 110.244 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.6 mt-30 -64.12 -6.18 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.597 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.2 -37.45 23.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.918 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -87.84 -0.66 57.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 11.8 m -108.42 -12.34 15.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.296 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -100.13 -39.04 8.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.347 179.933 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.729 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.44 175.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -157.76 18.74 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.536 ' O ' HG11 ' A' ' 17' ' ' VAL . 12.1 p -167.36 78.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.576 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -92.82 120.11 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.531 HG13 ' CG2' ' A' ' 21' ' ' THR . 1.1 pt -145.08 124.21 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.609 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.5 tmm_? -77.46 41.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.64 HG22 ' CE1' ' A' ' 84' ' ' TYR . 1.4 t -63.54 173.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.419 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.514 ' HE2' ' CG1' ' A' ' 24' ' ' VAL . 17.3 ptmt -126.29 117.54 23.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.532 ' HA ' HG21 ' A' ' 47' ' ' ILE . . . -92.77 97.62 10.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.514 ' CG1' ' HE2' ' A' ' 22' ' ' LYS . 16.2 m -102.91 -36.64 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.479 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 11.1 t -112.35 157.56 20.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -142.33 -173.66 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.39 1.056 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.697 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.4 ttpt -154.87 123.87 6.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.486 ' CB ' HD13 ' A' ' 43' ' ' ILE . 17.5 tt0 -81.18 97.73 7.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 6.5 m -106.15 104.47 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.486 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -53.42 149.55 7.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.548 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.2 t -137.83 20.53 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.999 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.6 -177.16 22.73 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.482 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.5 m120 -83.86 165.89 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -95.53 -161.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -81.16 0.68 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -108.61 -1.12 19.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.33 -8.67 78.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.22 153.9 79.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.07 129.08 11.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.548 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 45.5 mt -68.89 -82.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.521 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.23 122.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.583 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.1 ptt180 -130.45 69.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.489 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -39.61 156.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.697 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 10.7 mm-40 -96.21 -177.69 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.905 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.91 67.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 11.0 tt0 -62.9 68.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.6 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.4 pt -67.75 -170.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.521 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -125.52 0.97 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.521 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.8 mm100 47.94 106.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 110.258 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -115.31 -34.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -141.43 158.69 43.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.429 ' HG3' ' CG2' ' A' ' 19' ' ' ILE . 26.5 ttm -141.26 70.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.062 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.578 ' CD1' HD21 ' A' ' 118' ' ' LEU . 22.6 m-85 -42.27 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 111.054 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.06 77.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.23 -161.8 11.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.462 ' HD3' ' CG2' ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.01 -170.49 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -94.39 -33.98 12.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.377 1.048 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.61 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -75.76 -82.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.61 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.0 t70 154.71 166.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.492 ' HA ' ' CA ' ' A' ' 94' ' ' GLY . 0.7 OUTLIER -106.06 -79.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.495 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 72.37 -7.28 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.537 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -144.68 93.97 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.563 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -101.33 169.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.654 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 11.3 m-85 -121.39 154.31 36.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.655 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 9.0 t -175.14 -168.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.406 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -87.95 154.32 52.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.534 ' O ' ' O ' ' A' ' 68' ' ' SER . 18.3 Cg_endo -75.13 -62.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.549 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -39.69 167.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.031 179.943 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.576 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 20.5 t -35.11 -36.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 156.99 94.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.549 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.8 OUTLIER -102.32 -35.66 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 99' ' ' THR . 29.4 m -131.36 20.2 4.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.588 1.18 . . . . 0.0 108.348 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.555 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -161.06 -154.25 7.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.443 1.09 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.509 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 90.6 t -118.78 -7.25 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.627 ' CA ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 34.37 84.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.905 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -104.1 131.69 51.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.56 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 3.1 p30 -104.69 -12.23 16.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 3.6 t 72.54 -43.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -55.76 -10.12 3.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -124.74 -25.36 1.57 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.486 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -105.83 -92.84 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.797 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.537 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 168.13 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.936 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.565 ' O ' ' O ' ' A' ' 106' ' ' PRO . 11.7 mp0 -151.16 149.63 29.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.792 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.0 p90 -127.5 154.78 44.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.695 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -85.29 4.11 36.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.792 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.18 103.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -129.07 110.18 11.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 89' ' ' LYS . . . -145.11 170.3 26.57 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.419 1.074 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -39.73 -35.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.344 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.534 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . 84.48 176.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.549 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.7 tp10 -135.24 6.71 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.31 -123.69 4.67 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.35 144.81 51.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.492 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.54 -4.59 59.52 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.537 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.38 146.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.34 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.563 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.46 -167.85 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.403 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -127.93 127.55 43.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.628 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.523 ' CD1' HG13 ' A' ' 86' ' ' ILE . 3.8 pt -140.25 134.76 35.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.581 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -134.94 168.74 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.384 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.555 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.7 OUTLIER -62.75 -44.45 96.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -64.32 -25.59 68.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 108.339 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.433 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.8 t0 -81.61 170.26 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.918 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -74.32 117.93 16.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.6 pt -164.5 134.03 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -154.69 157.13 32.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.601 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 10.82 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.51 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.5 t90 72.02 -59.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.495 ' O ' ' CG2' ' A' ' 109' ' ' THR . 46.3 t0 -69.32 52.39 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.7 p -158.97 -55.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.383 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.679 ' C ' ' O ' ' A' ' 109' ' ' THR . 44.5 mt 10.09 -106.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.26 -41.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.599 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.6 -63.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.464 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 43.7 m -51.79 -25.05 6.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.723 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -84.59 -33.09 23.44 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.5 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -72.96 -41.85 63.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.41 -20.8 65.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.608 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.47 -18.86 25.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.578 HD21 ' CD1' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -69.77 -28.38 65.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.407 1.067 . . . . 0.0 109.342 179.92 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 116' ' ' LYS . 1.4 p-10 -88.73 -5.71 57.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.569 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 1.0 OUTLIER -89.19 23.69 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.589 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.435 ' C ' ' HG2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER 48.6 -93.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.249 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.745 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 6.0 p90 -142.58 94.04 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 125' ' ' GLY . 2.3 tt0 55.59 62.8 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.569 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -66.75 58.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 53.72 23.95 23.6 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.511 1.132 . . . . 0.0 111.086 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -57.16 -169.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 179.981 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.575 ' O ' ' CD2' ' A' ' 100' ' ' LEU . 1.1 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.96 38.53 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.422 ' H ' ' C ' ' A' ' 1' ' ' CYS . 3.7 t -73.81 177.0 5.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 108.283 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -120.88 123.95 27.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.958 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 121.53 6.62 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.532 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 8.2 p -142.8 -133.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.532 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 34.32 88.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 5.56 3.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.496 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -142.99 -46.18 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.496 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -59.38 -9.63 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 110.344 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.62 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.55 -33.44 28.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.855 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -90.96 6.59 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.6 m -115.84 -9.53 11.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 108.296 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.29 -38.97 6.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.649 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -51.97 171.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.392 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.44 14.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 10.8 p -166.67 84.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.556 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.56 121.11 46.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.506 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -145.86 125.36 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.676 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.2 ttp180 -77.54 38.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.653 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.0 t -60.23 178.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 13.9 ptmt -132.65 118.88 19.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -91.52 106.8 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.477 ' CG1' HG12 ' A' ' 78' ' ' VAL . 2.3 m -109.05 -35.31 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.502 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.95 168.05 10.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.454 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 2.0 mp0 -151.87 174.66 13.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.662 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.0 ttpt -139.18 111.8 7.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.524 ' CG ' HD13 ' A' ' 43' ' ' ILE . 2.2 tt0 -73.9 93.92 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.438 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 34.7 m -108.71 112.75 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.82 155.42 23.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.8 t -139.51 21.29 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.01 -178.87 36.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.482 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.2 m120 -84.75 162.47 19.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 0.784 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.5 t0 -93.79 -162.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.505 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.9 mp -80.34 0.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -107.88 -1.87 20.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.26 -8.74 77.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.7 p-10 -78.79 153.29 78.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 130.08 12.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.45 1.763 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.433 HG22 ' OG ' ' A' ' 31' ' ' SER . 67.0 mt -68.91 -82.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 20.9 ttmm 68.44 125.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.63 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -129.01 71.81 1.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.524 HD13 ' CG ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -43.5 143.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.662 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.6 mm-40 -86.14 -179.74 6.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.612 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.68 67.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 15.0 tt0 -61.64 71.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.653 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.7 pt -68.48 -171.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -126.04 1.14 7.25 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.497 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 53.76 115.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.455 HD13 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -126.5 -25.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.498 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -155.87 163.51 39.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.82 69.11 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 111.075 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.613 ' CE2' ' CD2' ' A' ' 118' ' ' LEU . 2.0 m-85 -38.86 -78.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.8 78.02 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.2 -155.68 7.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.105 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -174.15 1.83 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.443 1.759 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -93.37 -32.61 14.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -78.25 -79.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 5.0 t70 151.62 169.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.48 HG23 ' CG ' ' A' ' 96' ' ' MET . 1.6 mm -101.85 -73.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 73.66 -8.16 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.62 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -149.48 96.55 2.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 0.0 111.059 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.583 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.3 OUTLIER -102.12 169.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.925 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.714 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -119.27 153.33 35.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.612 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 10.1 t -169.89 -159.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.476 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -109.88 149.83 40.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.519 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.0 -159.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.797 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.429 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.7 OUTLIER 55.21 -171.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.943 179.961 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 p -70.42 53.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 60.99 100.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.547 ' O ' ' O ' ' A' ' 1' ' ' CYS . 0.7 OUTLIER -110.6 -27.29 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.508 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 8.7 m -136.36 10.52 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.587 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.31 -152.4 5.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.122 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.497 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 51.4 t -114.22 -2.3 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.368 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.449 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 88.2 p 36.29 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.667 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -110.91 135.09 51.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.453 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -125.04 2.36 7.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.248 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.477 HG12 ' CG1' ' A' ' 24' ' ' VAL . 1.3 t 70.09 -55.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -56.58 -11.67 5.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.418 1.074 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.445 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -117.47 -25.5 3.15 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -116.43 -91.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 0.736 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 161.17 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.553 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -151.73 161.98 41.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.8 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.3 p90 -149.45 152.76 36.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.685 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.31 1.51 40.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.8 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 12.05 99.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.801 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -126.02 108.42 11.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.415 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -142.68 171.01 24.95 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 2.4 tttm -43.44 -32.68 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 0.812 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 84.03 179.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.573 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -131.93 -38.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.64 -133.14 2.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -113.51 133.72 55.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.13 -3.43 71.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.62 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -168.61 140.77 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 0.0 109.368 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.583 ' HE3' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -138.9 -159.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.714 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -140.23 125.42 18.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 64' ' ' TYR . 1.5 pt -139.94 146.87 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.516 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -142.42 165.38 27.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.587 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.1 pt? -58.69 -48.41 81.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.462 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -61.37 -30.17 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.259 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.479 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.1 t0 -75.05 165.37 25.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.409 1.068 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.855 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -69.95 114.53 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.516 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.0 pt -163.23 128.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -149.68 157.45 38.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.568 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 6.6 3.28 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.44 1.758 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.676 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 1.7 t90 75.33 -57.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.509 ' O ' ' CG2' ' A' ' 109' ' ' THR . 38.1 t0 -69.27 50.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.71 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.9 p -158.18 -54.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.71 ' C ' ' O ' ' A' ' 109' ' ' THR . 39.9 mt 5.02 -106.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.9 m 146.12 -41.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.592 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.37 -65.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.462 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.496 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 32.1 m -49.01 -22.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.711 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -88.08 -34.71 17.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.296 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.513 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -71.32 -39.7 71.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.498 ' O ' ' OD1' ' A' ' 119' ' ' ASN . 0.0 OUTLIER -63.61 -15.34 57.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.601 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -99.65 -9.0 23.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.613 ' CD2' ' CE2' ' A' ' 53' ' ' PHE . 3.4 mt -87.8 -27.44 22.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.498 ' OD1' ' O ' ' A' ' 116' ' ' LYS . 1.2 p-10 -74.79 -26.77 59.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.57 ' CD2' ' SD ' ' A' ' 124' ' ' MET . 1.0 OUTLIER -91.07 159.46 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.642 179.92 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 120' ' ' HIS . 0.1 OUTLIER -38.19 -91.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.535 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 0.6 OUTLIER -156.64 10.77 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.7 OUTLIER 174.64 48.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.57 ' SD ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -68.19 55.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 66.68 8.34 46.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.432 1.083 . . . . 0.0 111.031 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.417 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -63.18 161.5 13.49 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.435 ' N ' ' HG2' ' A' ' 9' ' ' GLN . 1.3 tp10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.216 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.626 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 79.5 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.89 49.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.916 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.63 157.62 16.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 108.341 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.5 p -99.31 110.14 57.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 128.34 11.47 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.529 1.805 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.563 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.5 p -156.17 -133.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.7 OUTLIER 39.01 85.85 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.609 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.29 7.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.535 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.7 OUTLIER -136.13 -45.51 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -60.41 -8.07 2.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 110.308 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.631 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -81.99 -33.84 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.398 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.854 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -91.38 6.03 46.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.6 m -115.69 -8.96 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -104.88 -40.15 6.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.751 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.66 170.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.53 14.55 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 11.3 p -166.33 89.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.694 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -99.88 117.59 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.54 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.8 OUTLIER -142.2 126.15 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.3 tmm_? -77.82 38.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.629 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.0 t -60.95 167.47 2.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.538 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 16.2 ptmt -122.25 120.73 34.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.528 ' O ' ' CG2' ' A' ' 78' ' ' VAL . . . -91.28 102.91 15.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG11 ' CG1' ' A' ' 78' ' ' VAL . 1.9 m -104.77 -36.44 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.517 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.8 169.06 9.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.903 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.478 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -152.96 177.38 10.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.656 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -141.23 112.05 7.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.529 ' CG ' HD13 ' A' ' 43' ' ' ILE . 1.9 tt0 -75.0 91.66 2.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 32.0 m -107.5 129.94 60.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.29 157.29 32.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.445 ' OG ' HG23 ' A' ' 40' ' ' ILE . 3.2 t -140.52 20.82 2.37 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.434 1.084 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.408 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 78.42 177.33 48.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.426 1.078 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.468 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.2 m120 -83.98 162.97 20.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 0.818 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.51 -162.43 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -80.03 0.16 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.38 -0.47 20.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.53 -9.43 73.6 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.468 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.2 p-10 -77.08 152.35 82.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 129.76 12.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.426 1.751 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.445 HG23 ' OG ' ' A' ' 31' ' ' SER . 50.0 mt -65.43 -85.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 18.3 ttmm 72.98 129.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.719 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -131.8 67.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.529 HD13 ' CG ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -36.81 140.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.719 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.5 mm-40 -83.61 -178.8 7.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.906 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.53 70.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.5 tt0 -63.77 67.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.629 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.5 pt -66.47 -171.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.615 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -124.68 8.34 8.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.944 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.615 ' O ' ' O ' ' A' ' 48' ' ' LYS . 10.2 mm100 38.84 105.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.538 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -115.03 -34.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.082 . . . . 0.0 109.358 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -141.34 160.02 40.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.929 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.463 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -143.64 67.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.596 ' CD1' HD21 ' A' ' 118' ' ' LEU . 29.6 m-85 -38.82 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 14.8 tptt -122.64 74.91 1.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' HA2' HG21 ' A' ' 17' ' ' VAL . . . -124.2 -163.73 11.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.477 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -74.97 -165.36 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.434 1.755 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.9 -34.22 10.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.587 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -73.42 -80.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.587 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.8 t70 150.54 163.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.486 HD13 ' SD ' ' A' ' 96' ' ' MET . 1.1 mm -105.8 -80.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.483 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 76.66 -9.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -143.4 98.43 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.39 1.057 . . . . 0.0 111.056 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.555 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -103.65 170.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -123.28 150.15 43.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.568 HG23 ' CE2' ' A' ' 45' ' ' TYR . 8.8 t -163.9 -162.32 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.488 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -106.72 150.77 40.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.495 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.5 m 56.82 -171.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.41 55.79 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.482 ' CA ' ' HB3' ' A' ' 75' ' ' SER . . . 55.29 97.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.572 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -105.84 -45.82 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.626 ' HA ' ' N ' ' A' ' 1' ' ' CYS . 7.6 m -114.87 15.55 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.605 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.57 -150.13 5.44 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 75' ' ' SER . 87.0 t -118.94 0.81 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.262 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 74' ' ' VAL . 4.8 p 31.47 84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.97 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.906 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -104.48 135.64 45.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.466 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -122.24 2.41 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 2.8 t 68.52 -55.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -57.6 -10.17 5.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.455 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.2 -16.97 5.06 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.34 -89.9 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 161.99 -67.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.907 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.546 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -164.79 166.18 20.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.792 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.5 p90 -152.08 151.71 31.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.683 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.77 2.5 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.792 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.66 99.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.751 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -123.53 105.99 10.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -140.53 160.1 26.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.56 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 9.1 tttt -36.66 -33.59 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 0.731 . . . . 0.0 109.304 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 87.86 -177.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.509 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 15.7 tp10 -134.22 -37.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.82 -136.33 3.56 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.65 132.76 54.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 76.79 1.33 71.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.591 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -169.9 131.93 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.555 ' HE3' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -131.71 -159.02 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.623 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -142.4 123.38 14.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.519 ' CD1' HG13 ' A' ' 86' ' ' ILE . 1.7 pt -137.65 147.26 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.556 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -144.72 167.15 23.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.404 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.605 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -60.22 -44.9 94.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -31.46 72.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 108.312 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -75.13 166.38 23.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.854 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -70.91 115.18 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.556 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.4 pt -162.53 133.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.531 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -151.64 156.82 34.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.603 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.1 10.03 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.409 1.742 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.418 ' CZ3' ' NH1' ' A' ' 20' ' ' ARG . 9.4 t90 73.12 -59.8 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.513 ' O ' HG22 ' A' ' 109' ' ' THR . 30.5 t70 -70.25 53.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 3.9 p -159.63 -56.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.676 ' C ' ' O ' ' A' ' 109' ' ' THR . 56.6 mt 9.77 -106.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.14 -42.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.585 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.75 -64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.379 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.535 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 1.3 m -50.17 -26.25 4.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.452 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.661 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -83.21 -35.2 25.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.487 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.34 -42.33 72.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.545 ' NZ ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -63.06 -19.63 64.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.619 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.54 -12.61 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.596 HD21 ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -76.82 -23.1 52.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -102.45 8.92 39.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.074 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 124' ' ' MET . 0.1 OUTLIER -89.12 15.78 8.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.561 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.29 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.829 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 1.1 p90 -171.2 93.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.431 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 1.9 tt0 57.4 53.99 7.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.574 ' HB2' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.31 53.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.948 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 60.05 26.09 62.92 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -169.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.396 1.06 . . . . 0.0 110.307 -179.911 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.55 ' HA ' ' CB ' ' A' ' 72' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.537 ' C ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -28.09 93.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.52 1.138 . . . . 0.0 109.95 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 1' ' ' CYS . 36.0 t -147.33 141.68 26.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 108.296 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.8 p -65.61 110.04 3.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.5 Cg_endo -74.96 98.87 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.538 1.81 . . . . 0.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.645 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.2 p -125.66 -132.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.645 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER 43.32 82.02 0.24 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -74.99 -1.72 11.59 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.493 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.6 OUTLIER -135.01 -44.52 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.685 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -60.58 -8.02 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.361 179.96 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.644 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -81.86 -34.25 30.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.866 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -91.82 5.58 49.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.7 m -115.02 -8.8 12.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 108.265 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.685 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -106.62 -39.94 5.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.369 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.74 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.05 171.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.22 15.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 11.1 p -166.0 88.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.647 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.76 117.51 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.909 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.536 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -143.48 125.12 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.679 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.5 mtp180 -77.5 40.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.616 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.2 t -60.91 176.0 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.454 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 13.7 ptmt -129.41 120.47 25.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.574 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.96 107.01 18.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.521 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 2.5 m -110.06 -36.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.509 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -112.48 170.02 8.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.043 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -152.32 -175.67 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.639 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.1 ttpt -149.82 114.51 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.533 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 4.7 tt0 -73.45 92.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.429 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 34.4 m -107.1 111.09 34.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.43 150.96 47.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.209 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' A' ' 31' ' ' SER . 2.9 t -134.06 28.73 3.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.9 -176.98 28.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.6 m120 -85.07 165.69 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.3 t70 -96.87 -162.33 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.4 mp -80.23 -0.12 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -107.87 -0.94 21.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.63 -7.96 79.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 6.7 p-10 -78.4 152.07 78.29 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.0 128.46 11.5 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.612 1.849 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.447 HG23 ' OG ' ' A' ' 31' ' ' SER . 39.0 mt -66.58 -89.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.533 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 19.7 ttmm 73.01 126.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.661 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -133.83 72.62 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -39.75 148.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.661 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 9.0 mm-40 -87.16 -176.85 5.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.663 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.89 68.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.509 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 16.2 tt0 -62.65 70.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.289 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.616 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.2 pt -65.97 -172.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -126.23 1.4 7.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.527 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.33 124.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.428 HG21 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -131.84 -30.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.515 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -153.55 168.22 26.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.221 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' PHE . 1.3 ptt? -145.65 64.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -35.88 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.505 1.128 . . . . 0.0 110.928 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.497 ' CD ' ' HD2' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -128.08 66.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.44 -157.3 9.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.421 ' HD3' ' CG2' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.99 -177.06 3.2 Favored 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.562 1.822 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -90.08 -32.54 16.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.47 -79.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 151.49 170.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.482 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.2 mm -102.35 -71.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.587 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 73.53 -6.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.605 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -148.79 100.18 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.511 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -107.44 172.69 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.622 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 11.3 m-85 -119.57 156.39 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.663 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 7.1 t -176.67 -167.04 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.432 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.494 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -89.75 146.96 36.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' A' ' 68' ' ' SER . 18.3 Cg_endo -74.91 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.567 ' O ' ' O ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -47.55 -171.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.006 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.3 p -66.94 56.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 109.96 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 58.2 92.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.547 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.8 OUTLIER -107.38 -26.91 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.557 ' O ' ' HA ' ' A' ' 99' ' ' THR . 12.8 m -134.43 12.21 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.502 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -148.38 -152.58 5.73 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.515 1.134 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.527 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 73.3 t -113.09 -10.7 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.457 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 14.1 p 43.66 83.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.629 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -108.29 133.8 52.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.231 -179.937 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.506 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -120.82 -0.17 10.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.556 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.3 t 72.22 -56.07 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.95 -9.81 1.47 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.536 1.147 . . . . 0.0 111.057 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.48 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -119.21 -28.41 2.0 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.48 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -114.89 -94.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.366 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.556 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.57 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.581 ' O ' ' O ' ' A' ' 106' ' ' PRO . 2.0 mp0 -146.48 153.84 40.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.808 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.4 p90 -137.22 153.03 50.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.693 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.9 3.4 30.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.808 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.06 103.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.74 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -128.92 108.72 10.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -144.51 176.3 23.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.7 -38.39 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 84.27 175.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.527 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.6 tp10 -134.88 7.69 3.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.22 -121.85 4.23 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.443 1.09 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.06 144.93 51.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.79 -3.8 59.29 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.501 1.125 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.605 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.81 144.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.359 179.908 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.546 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -148.08 -169.1 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -127.44 130.11 48.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.622 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.537 ' CD1' HG13 ' A' ' 86' ' ' ILE . 12.0 pt -142.54 139.14 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.557 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -139.24 161.99 36.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 110.407 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.502 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.2 pt? -55.62 -44.86 77.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 1.6 t -63.67 -33.72 76.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 108.241 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.422 ' O ' HG12 ' A' ' 104' ' ' ILE . 3.6 t0 -73.15 166.34 23.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.866 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -70.41 117.41 11.92 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 111.002 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.544 ' CD1' ' O ' ' A' ' 99' ' ' THR . 4.7 pt -163.98 136.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.517 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -157.54 156.72 29.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.594 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -74.99 11.39 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.562 1.822 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.679 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.5 t90 71.15 -60.11 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 107.952 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.504 ' O ' HG22 ' A' ' 109' ' ' THR . 21.1 t0 -69.21 52.1 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.7 p -158.72 -56.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.682 ' C ' ' O ' ' A' ' 109' ' ' THR . 47.5 mt 9.79 -106.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 146.61 -42.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.582 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.77 -65.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.41 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 23.6 m -48.93 -24.45 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.714 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -86.26 -35.12 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.483 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.56 -41.19 72.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.646 ' NZ ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -63.02 -19.02 63.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.225 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.55 -12.87 28.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.477 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 34.1 mt -70.7 -28.5 64.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -98.53 15.4 25.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.646 ' CD2' ' NZ ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -98.25 10.53 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.605 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.497 ' HD2' ' CD ' ' A' ' 54' ' ' LYS . 1.0 OUTLIER 59.11 -82.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.249 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.56 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 1.4 t80 -154.2 93.45 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.46 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 2.1 tt0 56.12 51.81 11.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.395 1.059 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.561 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.07 55.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 58.83 27.35 61.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.405 1.066 . . . . 0.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.409 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -60.61 -167.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.948 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.406 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 9.2 tp10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 110.216 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.513 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 85.3 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.91 56.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 1' ' ' CYS . 37.0 t -106.33 157.88 17.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.247 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.3 p -90.61 112.1 51.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 126.71 10.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.527 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.6 p -155.19 -133.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.116 . . . . 0.0 109.366 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.66 88.17 0.1 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.621 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.455 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -74.97 -25.77 11.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.589 HE21 ' CB ' ' A' ' 117' ' ' SER . 1.3 tt0 -117.52 -36.08 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 3.0 mt-30 -64.82 -7.95 13.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.605 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -81.68 -36.41 28.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.869 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -87.78 3.39 48.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -113.68 -14.71 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.24 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.08 -36.89 10.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.641 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.83 173.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.48 ' HA ' ' CE2' ' A' ' 122' ' ' TYR . 0.4 OUTLIER -151.85 13.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.234 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.542 ' CG2' ' SD ' ' A' ' 96' ' ' MET . 7.2 p -166.29 86.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.591 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -98.93 118.77 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.499 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.1 pt -143.58 126.71 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.656 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 10.9 ttp85 -78.58 40.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.603 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.2 t -61.86 173.4 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.8 ptmt -125.69 120.51 30.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.95 105.05 16.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.532 HG11 ' CB ' ' A' ' 78' ' ' VAL . 3.3 m -109.38 -39.42 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.501 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -110.0 161.39 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -148.35 -174.06 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.634 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.5 ttpt -154.58 112.47 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.4 tt0 -74.69 91.88 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.6 m -100.06 82.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.46 141.75 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 31' ' ' SER . 2.0 t -127.13 30.91 5.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.1 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.77 -171.07 7.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.2 m-20 -83.79 164.8 19.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -95.31 -161.89 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.516 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.56 0.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -107.6 -1.29 21.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.1 -8.89 76.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.477 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -78.4 153.4 79.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.588 0.816 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.93 128.99 11.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.433 HG21 ' N ' ' A' ' 41' ' ' LYS . 34.4 mt -72.1 -94.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 21.7 ttmt 72.46 122.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.631 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -126.45 68.7 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -38.98 144.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.634 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.5 mm-40 -86.94 177.65 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.44 67.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.501 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.0 tt0 -63.06 68.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.603 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.3 pt -63.82 -174.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -124.64 1.05 8.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.526 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 53.56 119.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.951 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.477 HD12 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -129.16 -29.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -180.0 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.75 163.0 40.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.7 ptm -144.98 68.5 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CZ ' HD12 ' A' ' 118' ' ' LEU . 14.2 m-85 -39.87 -78.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -124.47 71.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.436 ' HA2' HG21 ' A' ' 17' ' ' VAL . . . -128.93 -161.14 10.53 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -176.45 2.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.06 -33.57 15.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.572 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -75.89 -79.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.6 t70 149.41 169.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.492 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 1.1 mm -102.9 -73.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.93 -7.67 1.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.327 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.609 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.6 m-85 -147.47 95.38 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.519 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.3 OUTLIER -105.9 167.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.631 ' CE1' ' OE1' ' A' ' 44' ' ' GLN . 5.4 m-85 -118.07 150.11 39.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.576 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.3 t -164.2 -168.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.449 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.502 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.91 148.36 36.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.554 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.04 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.438 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 1.6 m 56.95 -169.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.035 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.7 p -69.22 54.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.456 ' HB3' ' CA ' ' A' ' 74' ' ' VAL . . . 54.52 92.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.575 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -99.78 -41.43 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.376 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.575 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 7.9 m -121.19 13.33 11.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 108.305 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.549 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.17 -153.53 6.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.48 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 75.0 t -115.95 -2.67 10.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 74' ' ' VAL . 83.5 p 35.24 84.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.626 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.41 135.86 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.488 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -123.27 -0.04 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.357 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.45 -56.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.55 -11.7 1.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.463 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.13 -27.74 2.38 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -114.3 -93.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.539 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.14 -82.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.553 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.6 OUTLIER -148.66 156.09 41.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.938 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.802 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.1 p90 -141.07 152.98 45.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.678 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.34 1.03 39.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.802 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.46 100.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.787 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -125.77 106.77 9.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.463 ' C ' ' N ' ' A' ' 90' ' ' ALA . . . -141.76 165.1 26.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 3.3 tttm -39.67 -29.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 82.74 -179.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.531 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 15.1 tp10 -134.98 -37.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 171.44 -144.99 8.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.597 1.186 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.86 133.4 48.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.774 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 83.17 -6.59 70.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.075 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.609 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -167.72 143.91 4.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.247 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.542 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -139.93 -158.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.04 124.84 21.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.502 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.8 pt -139.86 141.27 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.55 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -141.36 164.7 29.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.428 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.549 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.6 OUTLIER -58.64 -43.45 89.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 1.7 t -63.73 -32.99 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 108.383 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -75.73 166.9 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.869 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.07 116.76 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.55 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.2 pt -163.25 133.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.502 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.7 156.71 31.01 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.682 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.06 11.68 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.406 1.74 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.656 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 4.6 t90 71.9 -60.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 108.01 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.491 ' O ' HG22 ' A' ' 109' ' ' THR . 12.4 t0 -70.37 51.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.682 ' OG1' ' HD2' ' A' ' 106' ' ' PRO . 2.1 p -158.59 -55.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.668 ' C ' ' O ' ' A' ' 109' ' ' THR . 60.7 mt 11.77 -105.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.81 -42.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.584 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.09 -63.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.51 ' HA ' ' CG ' ' A' ' 116' ' ' LYS . 1.4 m -54.45 -24.01 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.665 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -80.43 -36.34 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.955 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.502 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.3 OUTLIER -68.74 -47.3 66.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.582 ' HE3' ' NE2' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -63.27 -10.86 17.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.639 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 0.2 OUTLIER -108.05 -14.12 14.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.586 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -96.31 -13.85 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.61 -27.74 17.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.639 ' CD2' ' O ' ' A' ' 117' ' ' SER . 0.5 OUTLIER -86.8 54.83 3.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.638 179.974 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER 65.38 -98.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.959 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.601 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 8.6 p90 -171.29 18.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.601 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 1.3 tt0 170.31 51.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.522 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.97 52.91 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 49.75 21.68 3.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.588 1.18 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.462 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -61.82 -170.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.985 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.476 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 59.4 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 53.21 13.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.053 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 101' ' ' CYS . 1.5 m -54.47 -174.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.188 . . . . 0.0 108.373 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.1 p -128.88 107.95 18.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.957 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 121.75 6.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.556 1.819 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' ' 7' ' ' HIS . 9.9 p -149.92 -134.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 31.29 92.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.536 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.06 -28.55 8.98 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.572 1.827 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.3 OUTLIER -107.03 -33.29 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.514 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -72.98 -4.91 35.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.606 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.95 -34.44 24.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.905 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.5 m-85 -91.3 -5.19 55.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.1 m -102.27 -10.56 19.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 108.342 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -103.64 -41.24 6.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.769 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.26 170.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.72 14.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 9.0 p -166.27 90.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.634 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.08 118.86 48.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.534 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.53 123.87 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.677 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.2 mtp180 -76.24 40.12 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.618 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.8 t -62.63 172.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 14.5 ptmt -126.41 120.58 30.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -92.16 107.08 18.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.48 HG13 ' CG1' ' A' ' 78' ' ' VAL . 2.6 m -110.18 -37.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.525 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -114.11 164.95 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -148.5 -175.27 4.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.237 -179.922 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.7 ttpt -152.22 112.1 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.489 ' CG ' HD13 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -75.02 88.74 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 15.8 m -95.24 79.62 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -44.04 140.63 1.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.521 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.7 t -126.84 31.25 5.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.72 -169.58 4.25 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.542 1.151 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.498 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.3 m-80 -84.07 163.67 19.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 0.774 . . . . 0.0 109.358 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.2 t70 -94.44 -161.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.528 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.5 mp -80.69 1.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.23 -1.64 20.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 111.061 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.84 -8.72 76.88 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.498 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.3 p-10 -79.56 153.32 76.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.41 0.712 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.02 130.47 13.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 41' ' ' LYS . 35.8 mt -75.01 -93.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 23.2 ttmt 71.2 122.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.637 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.6 ptt180 -128.0 74.38 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.529 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -44.63 142.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.649 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.4 mm-40 -85.38 -178.65 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.627 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.18 67.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.525 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.1 tt0 -62.28 68.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.328 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.618 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.3 pt -67.07 -175.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -119.63 -2.71 10.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.52 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.4 mm100 51.75 108.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.441 HG12 ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -116.24 -35.28 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.515 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -144.81 161.12 40.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -140.35 67.57 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.928 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.62 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -35.32 -80.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -127.35 72.33 1.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.24 -163.12 12.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.485 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.03 -172.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -94.43 -33.3 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.655 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.03 -79.17 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.655 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.9 t70 148.35 164.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.5 ' HA ' ' CA ' ' A' ' 94' ' ' GLY . 0.8 OUTLIER -106.18 -78.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.512 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.0 OUTLIER 72.67 -7.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.343 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.562 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -144.29 94.12 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.549 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -99.22 171.37 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.659 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.17 155.49 38.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.627 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.5 t -170.94 -161.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.401 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.519 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -108.93 151.5 41.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.529 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -161.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.06 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.3 m 58.15 -172.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.949 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.7 p -68.82 56.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.956 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.493 ' CA ' ' HB3' ' A' ' 75' ' ' SER . . . 54.99 104.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.553 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -112.25 -44.04 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.927 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.623 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 9.6 m -116.88 12.33 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.514 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -151.76 -156.64 7.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 75' ' ' SER . 96.2 t -111.49 2.04 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.359 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.493 ' HB3' ' CA ' ' A' ' 70' ' ' ALA . 9.7 p 31.57 88.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.683 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -109.77 130.57 55.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.915 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.492 ' OD2' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -122.26 2.53 9.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.5 t 70.82 -55.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.94 -12.34 1.72 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.477 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.65 -30.85 1.58 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.52 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -110.66 -95.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 0.728 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.539 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.45 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -149.08 159.27 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.801 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.4 p90 -146.37 153.35 40.41 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.689 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.58 3.5 36.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.801 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.54 101.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.769 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -128.05 108.9 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.422 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -143.28 -178.05 18.77 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -48.91 -38.74 23.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 0.716 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 84.03 173.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.535 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 6.6 tp10 -130.16 1.31 4.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.73 -119.66 2.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.65 142.0 49.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.5 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 80.58 -4.39 69.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.044 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.84 140.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.549 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -144.16 -170.48 3.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -127.56 129.71 47.8 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.528 1.143 . . . . 0.0 109.574 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.528 ' CD1' HG13 ' A' ' 86' ' ' ILE . 6.3 pt -141.31 134.02 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 48.6 p -130.26 164.12 25.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.623 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -64.22 -24.37 67.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -80.08 -30.53 39.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -78.33 171.18 15.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.905 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -71.56 120.58 17.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.97 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.519 ' CD1' ' O ' ' A' ' 99' ' ' THR . 5.5 pt -165.68 138.9 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.5 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -158.59 157.89 29.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.582 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.98 9.04 2.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.526 1.803 . . . . 0.0 110.978 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.677 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.5 t90 73.36 -58.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 108.021 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.516 ' O ' ' CG2' ' A' ' 109' ' ' THR . 8.1 t70 -69.56 51.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.678 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.4 p -159.19 -55.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.403 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.678 ' C ' ' O ' ' A' ' 109' ' ' THR . 64.0 mt 11.55 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 147.36 -40.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.95 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.607 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.21 -66.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.393 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.495 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 1.3 m -49.59 -26.63 3.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.718 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -82.25 -29.28 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.472 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -77.13 -42.86 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.469 ' O ' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -61.54 -21.66 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.683 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.34 -10.22 47.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.992 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.593 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 49.0 mt -75.26 -27.22 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.387 1.054 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -102.09 15.81 27.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.578 ' NE2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -87.91 0.84 55.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 109.604 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.491 ' O ' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 70.37 -58.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 110.289 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.515 ' HA ' ' CE1' ' A' ' 120' ' ' HIS . 1.4 t80 175.83 94.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.476 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 2.2 tt0 49.77 50.83 17.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.2 55.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 65.69 8.95 42.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.428 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 1.2 p -52.21 175.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.351 -179.975 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 71' ' ' VAL . 30.2 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 162.04 53.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.961 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.429 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 0.8 OUTLIER -72.74 -161.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.255 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.6 p -147.44 122.33 5.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.061 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.441 ' CB ' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.06 78.59 2.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 8.1 p -90.05 -132.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.522 ' CB ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER 33.08 91.98 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.557 -179.94 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HB2' ' NE2' ' A' ' 114' ' ' GLN . 18.4 Cg_endo -75.04 6.53 3.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.483 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -141.74 -43.85 0.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.522 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.53 -7.23 9.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.613 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.13 -32.44 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.9 m-85 -91.06 -5.43 55.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.3 m -102.63 -8.79 20.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 108.376 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.442 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -104.08 -41.64 5.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.957 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.771 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.35 169.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.29 11.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 7.7 p -165.89 93.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.652 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.72 119.11 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.602 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.6 OUTLIER -142.14 124.76 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.613 ' HD3' ' CE3' ' A' ' 107' ' ' TRP . 1.2 tmm_? -79.19 40.98 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.632 ' CG2' HD11 ' A' ' 47' ' ' ILE . 1.3 t -64.5 173.66 2.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.49 ' N ' ' HG1' ' A' ' 21' ' ' THR . 17.0 ptmt -126.76 119.62 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.579 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -91.69 106.41 18.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.371 1.045 . . . . 0.0 109.233 -179.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 1.9 m -108.92 -35.09 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -116.32 166.37 12.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.494 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.9 mp0 -151.78 178.47 9.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.1 ttpt -143.44 112.63 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.539 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.8 tt0 -74.24 96.05 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.43 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 33.3 m -112.56 113.66 44.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' OD2' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -62.73 155.43 26.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 31' ' ' SER . 2.8 t -138.22 23.73 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' ILE . . . 74.14 -179.57 42.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.14 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.1 m-20 -84.39 164.72 18.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.9 t0 -97.09 -162.26 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.521 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -79.82 -0.51 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.38 -0.91 22.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.34 -8.77 75.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.3 p-10 -78.21 153.47 79.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 129.04 11.99 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.552 1.817 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.442 HG23 ' OG ' ' A' ' 31' ' ' SER . 49.3 mt -65.49 -85.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HG2' ' HG3' ' A' ' 67' ' ' PRO . 19.8 ttmm 73.04 125.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.616 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -130.02 65.73 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.539 HD13 ' HA ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -36.9 144.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.0 mm-40 -86.03 -179.58 6.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.784 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.29 68.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.092 179.916 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.9 tt0 -63.81 67.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.258 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.632 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.5 pt -64.83 -170.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.7 ttpt -126.78 0.39 6.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.562 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 50.17 114.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.938 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.472 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -123.06 -31.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.946 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -146.19 166.01 27.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.251 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.525 ' O ' ' CE ' ' A' ' 52' ' ' MET . 1.1 ttp -145.53 72.15 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.585 ' CZ ' HD12 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -43.27 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -127.16 74.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.213 -179.955 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -130.62 -164.82 11.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.429 ' O ' ' SD ' ' A' ' 52' ' ' MET . 18.2 Cg_endo -74.94 177.62 8.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.29 -35.85 63.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.94 -87.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.0 t70 151.68 166.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.644 HG13 ' SD ' ' A' ' 96' ' ' MET . 0.4 OUTLIER -119.99 76.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.469 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -70.33 -5.52 28.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.537 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 6.7 m-85 -135.01 92.07 2.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.409 1.068 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.572 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 0.4 OUTLIER -96.13 167.76 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.58 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 20.0 m-85 -117.87 145.86 44.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.553 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 8.7 t -162.72 -170.8 2.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 72' ' ' CYS . . . -101.96 149.34 36.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.521 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.98 -158.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.46 -160.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.532 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 34.9 t -81.45 30.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.971 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 85.9 90.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.472 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 0.6 OUTLIER -98.68 -40.95 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.249 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 99' ' ' THR . 94.7 m -125.23 18.56 8.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.319 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.525 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -156.6 -159.39 9.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.5 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 55.6 t -111.87 -1.34 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 33.11 87.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.784 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -106.11 137.32 44.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.49 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -123.67 0.22 8.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.544 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 2.7 t 69.45 -57.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -48.51 -15.46 0.47 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.478 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -114.32 -31.66 2.16 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -105.83 -93.31 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 163.0 -60.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.509 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -168.09 167.47 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.794 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.0 p90 -153.36 152.87 31.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.689 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.83 2.1 39.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.794 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 11.31 100.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 0.0 109.288 -179.917 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.771 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -128.38 110.65 12.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.428 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -145.08 170.74 26.43 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.15 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -41.89 -30.89 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 0.758 . . . . 0.0 109.239 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 85.68 -179.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.524 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.5 tp10 -139.06 -1.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 136.35 -125.0 3.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -126.52 146.96 49.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 72.24 -1.37 34.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.541 ' HA ' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -178.39 137.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.644 ' SD ' HG13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -132.98 -160.13 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.421 ' CG ' ' OE1' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -133.27 124.11 26.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.569 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.537 ' CD1' HG13 ' A' ' 86' ' ' ILE . 1.7 pt -139.35 133.42 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.555 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 1.8 p -133.29 169.02 17.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.525 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -66.24 -26.06 67.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.67 -22.69 37.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.415 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.9 t0 -87.24 169.63 12.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.231 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.875 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -70.48 118.89 13.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.55 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.6 pt -165.66 134.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.62 157.16 32.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.969 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.58 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.05 8.27 2.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.804 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.613 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.8 t90 74.31 -59.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 0.0 107.954 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.508 ' O ' ' CG2' ' A' ' 109' ' ' THR . 23.9 t70 -68.29 52.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.222 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 8.2 p -158.83 -53.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.708 ' C ' ' O ' ' A' ' 109' ' ' THR . 58.1 mt 6.25 -107.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.27 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 110.0 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.61 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.15 -65.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 110.412 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 3.4 m -48.41 -26.12 1.94 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.522 1.138 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.679 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.2 OUTLIER -84.55 -32.32 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.466 ' HE3' ' HB2' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -72.69 -40.73 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.429 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -63.38 -19.69 64.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.657 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.65 -5.04 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 109.941 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.585 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 46.4 mt -80.35 -27.08 38.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -103.59 10.56 36.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.57 ' NE2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -81.61 5.75 17.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.583 179.941 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.507 ' O ' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 68.57 -61.36 0.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 120' ' ' HIS . 3.5 t80 177.22 93.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.454 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 2.2 tt0 52.36 50.72 17.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.5 55.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 63.6 18.95 62.07 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.416 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -57.32 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.968 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.848 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 60.2 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 54.03 16.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 100' ' ' LEU . 1.7 m -55.61 -179.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 108.271 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.5 p -129.61 107.98 17.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 130.05 12.88 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.423 1.749 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.563 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 9.8 p -154.51 -134.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.563 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 33.3 88.52 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.684 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 4.02 5.08 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.447 1.762 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.519 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -141.29 -44.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 2.9 mt-30 -63.64 -5.74 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.628 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.09 -36.55 24.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.873 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -87.43 -6.29 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.2 m -101.15 -17.76 16.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -93.47 -41.84 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.701 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.94 172.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -152.08 16.03 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 3.1 p -166.39 88.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.558 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -99.76 117.11 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.574 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -141.46 125.52 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.568 ' HD3' ' CE3' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -77.09 40.18 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.662 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.1 t -62.98 163.88 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.1 ptmt -119.33 120.42 36.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.577 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -92.85 104.91 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.508 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 2.6 m -107.76 -37.11 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -114.14 165.25 12.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.0 mp0 -148.58 -176.08 5.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.667 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.9 ttpt -151.86 114.09 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.499 ' CG ' ' HE3' ' A' ' 41' ' ' LYS . 8.7 tt0 -74.89 91.24 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.9 m -100.67 112.2 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.248 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.544 ' N ' ' HZ1' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -56.83 152.88 11.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.518 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.3 t -140.65 19.32 2.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.573 1.171 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.23 -178.65 37.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m-20 -83.98 163.93 19.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -94.98 -160.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.522 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -81.85 0.69 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.99 0.1 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.03 -8.58 75.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.4 p-10 -78.89 155.52 77.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 130.01 12.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.518 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 50.2 mt -67.37 -79.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.599 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 13.1 tppt? 68.29 125.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.628 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.81 65.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -36.83 146.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.677 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 9.1 mm-40 -89.86 -179.59 5.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.539 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.51 69.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.0 tt0 -63.78 68.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.658 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.6 pt -65.45 -170.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.575 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.3 ttpt -127.51 4.27 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.575 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER 49.38 114.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.965 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -124.44 -33.44 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.2 tttt -144.76 162.85 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.7 ptm -146.89 63.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.577 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 51.9 m-85 -40.84 -70.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' VAL . 47.2 tptt -130.31 161.35 31.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.465 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 128.08 -135.82 8.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.487 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.1 Cg_endo -75.01 -166.9 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.85 -31.25 7.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.8 -80.19 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.3 t70 158.86 169.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.514 HG13 ' CD1' ' A' ' 19' ' ' ILE . 1.4 mm -100.07 -72.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.599 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.71 -10.38 1.19 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -145.4 97.11 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.539 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -106.11 169.46 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.677 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.6 m-85 -123.01 154.89 37.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.539 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 8.6 t -168.59 -161.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.492 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -106.79 152.75 40.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.599 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo -75.06 -159.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.768 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.66 -161.17 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.979 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.555 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 35.3 p -81.15 28.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 88.42 97.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.445 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -108.24 -38.06 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.848 ' HA ' ' N ' ' A' ' 1' ' ' CYS . 33.4 m -124.91 19.17 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.336 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.526 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -159.19 -158.43 9.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' A' ' 75' ' ' SER . 82.6 t -110.64 1.12 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER 30.76 84.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.955 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.612 ' CD1' ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.06 135.01 46.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.494 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -123.79 0.17 8.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.567 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.5 t 71.53 -53.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.62 -11.72 2.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.442 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.82 -29.7 1.79 Allowed Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -112.65 -94.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.18 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.562 ' O ' ' O ' ' A' ' 106' ' ' PRO . 3.0 mp0 -146.78 158.76 43.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.781 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 3.2 p90 -144.85 151.4 38.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.683 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.15 3.38 27.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.392 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.781 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.61 100.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.73 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -129.32 104.24 7.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -159.37 168.19 35.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -38.55 97.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.479 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . . . -64.5 174.38 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.229 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.4 tp10 -126.11 12.78 7.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.01 -116.88 2.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.91 139.34 39.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 80.79 1.58 89.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -176.43 145.43 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 0.8 . . . . 0.0 109.371 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.539 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -151.98 -170.44 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 -179.973 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.07 131.74 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.61 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.514 ' CD1' HG13 ' A' ' 86' ' ' ILE . 6.0 pt -141.82 149.36 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.56 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 2.0 p -147.07 162.96 37.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.614 ' CD2' ' H ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER -62.66 -28.28 69.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -30.98 57.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.13 171.14 15.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.873 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.75 118.74 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.56 ' CD1' ' O ' ' A' ' 99' ' ' THR . 5.9 pt -164.88 134.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.26 157.63 31.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.562 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.6 Cg_endo -74.92 6.48 3.33 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.568 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 3.4 t90 75.92 -57.79 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.512 ' O ' ' CG2' ' A' ' 109' ' ' THR . 17.0 t70 -68.61 50.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.693 ' O ' ' C ' ' A' ' 110' ' ' LEU . 15.3 p -158.28 -55.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.693 ' C ' ' O ' ' A' ' 109' ' ' THR . 52.2 mt 9.02 -106.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.49 -43.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.565 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 162.16 -63.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.519 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 25.5 m -51.63 -26.82 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.425 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.694 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -81.9 -34.28 30.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.487 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -71.03 -43.24 68.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.48 ' NZ ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -62.3 -19.95 63.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.627 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.96 -7.62 39.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.577 HD23 ' CZ ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -81.18 -24.77 37.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -102.98 10.28 38.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.595 ' ND1' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -87.72 14.9 7.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.388 1.055 . . . . 0.0 109.567 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.414 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 65.77 -69.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.89 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.793 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 8.4 p90 -177.08 93.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.499 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 1.4 tt0 54.71 51.85 13.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.42 53.45 0.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.145 . . . . 0.0 111.07 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 61.78 23.49 63.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.405 1.066 . . . . 0.0 111.018 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.408 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -59.53 -170.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.354 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 93.7 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 54.58 13.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.404 ' N ' ' C ' ' A' ' 1' ' ' CYS . 0.7 OUTLIER -65.06 169.35 5.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 108.276 179.948 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -103.59 107.47 56.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 119.3 5.6 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.811 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.527 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.4 p -144.48 -133.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.46 86.42 0.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.626 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.459 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.6 Cg_endo -74.93 -0.66 10.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 5.8 tp-100 -137.09 -43.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.0 mt-30 -63.94 -5.61 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.593 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -84.2 -35.25 23.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.918 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -89.02 -0.22 57.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 1.7 m -109.0 -15.94 14.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.05 -38.19 10.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.743 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.05 172.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.09 15.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 12.2 p -166.74 88.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.658 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -100.32 117.35 45.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.544 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -143.12 127.43 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.589 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 0.5 OUTLIER -78.0 42.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.651 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.6 t -66.2 163.1 18.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.482 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 14.6 ptmt -118.51 122.41 42.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.12 104.02 16.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.471 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 3.5 m -107.27 -35.92 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.525 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -114.51 161.5 17.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -146.01 -172.52 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.943 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.7 ttpt -156.85 119.75 4.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.534 ' CB ' HD13 ' A' ' 43' ' ' ILE . 3.4 tt0 -79.84 94.76 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.494 ' CG2' ' HD3' ' A' ' 42' ' ' ARG . 10.7 m -102.79 84.64 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.72 150.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.496 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.2 t -136.89 23.22 3.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.23 -170.79 25.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.1 m-80 -84.14 164.0 19.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.769 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.6 t70 -95.28 -161.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.513 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.47 0.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.46 -1.58 21.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.76 -8.83 76.37 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.49 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.4 p-10 -79.63 154.04 76.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.98 130.0 12.88 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.455 HG23 ' HB3' ' A' ' 31' ' ' SER . 61.0 mt -72.82 -90.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 18.7 ttmt 66.72 123.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.601 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -131.06 70.48 1.46 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.534 HD13 ' CB ' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -37.79 154.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.644 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mm-40 -94.72 -179.81 5.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.638 ' CE2' HG23 ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.25 68.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.525 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.2 tt0 -63.13 68.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.629 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -67.58 -174.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.598 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -122.39 6.92 9.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.215 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.9 mm100 41.49 106.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.482 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -114.71 -35.69 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.443 ' O ' ' HB ' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -141.07 159.59 41.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.405 ' HA ' ' CB ' ' A' ' 19' ' ' ILE . 9.8 ptm -142.82 65.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 20.3 m-85 -37.63 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HB3' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -121.87 76.55 1.29 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.39 -165.95 12.0 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.513 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.97 -171.1 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.759 . . . . 0.0 111.052 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -95.1 -33.41 12.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -72.41 -77.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.617 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.5 t70 145.35 164.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.513 HD12 ' CG ' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -105.31 -79.26 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.493 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 73.79 -10.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.539 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -139.86 94.73 2.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.569 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -102.66 168.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.63 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.9 m-85 -122.2 158.82 28.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.638 HG23 ' CE2' ' A' ' 45' ' ' TYR . 9.9 t -174.48 -162.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.467 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.475 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -102.09 153.43 38.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.519 ' HD3' ' O ' ' A' ' 41' ' ' LYS . 18.1 Cg_endo -75.09 -175.77 2.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.432 ' O ' ' OG ' ' A' ' 75' ' ' SER . 0.6 OUTLIER 70.3 -166.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.021 -179.933 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.672 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 8.1 p -59.85 -33.88 72.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.672 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 149.68 111.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.371 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.542 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -117.4 -39.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.542 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 13.3 m -126.01 16.4 7.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 108.289 179.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.558 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -157.17 -154.72 7.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.082 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' A' ' 75' ' ' SER . 90.6 t -115.68 -1.79 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.512 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 32.75 86.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.031 179.959 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.672 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -104.16 130.61 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.933 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.568 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -117.09 -4.41 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.586 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.3 t 74.74 -50.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 179.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.28 -13.78 1.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.549 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.02 -35.79 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.549 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -103.61 -98.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.358 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.586 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.78 -81.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.555 ' O ' ' O ' ' A' ' 106' ' ' PRO . 7.2 mp0 -147.56 153.26 39.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.418 1.074 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.811 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 3.2 p90 -137.98 153.22 49.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.702 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.16 4.77 25.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.811 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 8.86 102.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.743 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -127.94 108.09 10.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.42 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -142.16 174.37 23.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.63 -37.39 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 83.86 175.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.544 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.0 tp10 -133.9 4.62 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.83 -122.86 3.87 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.494 1.121 . . . . 0.0 111.062 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.02 143.45 50.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 0.806 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.483 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.22 -3.38 62.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.95 143.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 0.798 . . . . 0.0 109.295 -179.941 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.569 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.83 -168.93 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -129.2 127.6 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.614 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.539 ' CD1' HG13 ' A' ' 86' ' ' ILE . 4.6 pt -140.45 136.75 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.506 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 1.1 p -135.44 166.35 23.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.558 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -59.23 -43.23 92.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.417 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -64.57 -32.5 74.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.2 t0 -73.82 166.53 23.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.918 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.93 118.58 13.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.5 pt -164.15 136.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -157.5 156.71 29.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.592 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.9 10.92 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.552 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 10.2 t90 71.67 -59.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.5 ' O ' ' CG2' ' A' ' 109' ' ' THR . 32.8 t0 -69.84 52.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.678 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 p -159.15 -55.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.678 ' C ' ' O ' ' A' ' 109' ' ' THR . 49.2 mt 9.4 -107.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.657 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 145.86 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.61 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.86 -63.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.55 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.5 m -49.97 -22.23 1.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.712 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -88.79 -38.51 14.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -66.28 -40.12 89.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.946 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.55 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.94 -14.75 37.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.938 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.606 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.1 -11.43 22.89 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.952 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.608 HD23 ' CZ ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -85.73 -0.19 54.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -75.45 -60.79 2.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.61 ' HB2' ' HG2' ' A' ' 124' ' ' MET . 4.1 m-70 -65.46 -102.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.596 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.438 ' C ' ' HG2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -157.11 -76.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.069 . . . . 0.0 110.344 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 11.9 p90 -130.74 13.07 5.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.8 OUTLIER -169.26 74.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.61 ' HG2' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -67.46 54.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 44.91 23.95 0.68 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.634 1.209 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.409 ' N ' ' C ' ' A' ' 124' ' ' MET . 0.6 OUTLIER -62.99 -168.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.409 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 13.1 tt0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.893 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 52.6 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 46.03 22.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.441 ' N ' ' C ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER -71.23 163.61 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.313 179.976 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -100.2 107.71 48.78 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -74.98 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.425 1.75 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.584 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.7 p -141.87 -134.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.77 95.91 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.589 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.483 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -75.01 -30.48 7.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.55 1.816 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.567 ' NE2' ' HG ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -115.12 -34.56 4.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.478 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -62.17 -10.92 11.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.6 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.21 -36.3 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -88.62 -2.53 58.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 15.0 m -105.16 -12.81 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 108.336 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.478 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -98.58 -43.79 6.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.774 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.21 171.25 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' GLY . 19.4 m-20 -148.68 14.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.608 1.192 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.589 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 2.5 p -165.6 88.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.603 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -98.59 117.68 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.925 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.535 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -140.63 126.65 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.613 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 12.3 mtp180 -77.52 35.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.659 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.1 t -56.52 173.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 17.0 ptmt -129.05 118.05 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.603 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -91.48 100.07 12.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.407 ' CG1' ' HE2' ' A' ' 22' ' ' LYS . 2.5 m -101.78 -35.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.479 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.4 t -116.35 162.99 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.947 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -148.31 -174.45 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.648 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.4 ttpt -153.5 113.11 3.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.537 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.3 tt0 -74.23 94.99 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 m -103.45 80.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.89 139.31 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.514 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.8 t -124.6 32.63 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.34 -170.13 4.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.5 m-20 -84.17 165.83 18.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -95.72 -162.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.515 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -79.82 1.06 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -108.25 -1.59 20.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.25 -8.85 77.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.488 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -77.97 153.26 80.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.96 129.3 12.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 0.0 111.027 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.428 HG22 ' OG ' ' A' ' 31' ' ' SER . 36.5 mt -73.64 -95.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.512 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 17.5 ttmt 72.98 120.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.312 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.624 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -125.94 66.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.537 HD13 ' HA ' ' A' ' 28' ' ' GLU . 1.3 mp -37.69 146.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.648 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.8 mm-40 -88.03 179.15 6.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.914 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.856 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.34 69.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.044 -179.933 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.0 tt0 -64.56 66.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.937 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.659 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.2 pt -63.76 -172.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -124.98 -1.61 7.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.48 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.74 119.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.343 -179.921 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.475 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -126.86 -31.18 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.474 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.36 168.26 26.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.416 ' O ' ' C ' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -146.24 67.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.618 ' CZ ' ' CD1' ' A' ' 118' ' ' LEU . 0.6 OUTLIER -36.47 -78.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.18 57.72 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.57 -169.07 19.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.404 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.1 Cg_endo -75.05 -176.12 2.72 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.409 1.742 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.02 -37.69 58.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.589 1.181 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -77.97 -85.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 0.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.8 t70 152.4 168.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.56 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -119.48 73.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.519 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -68.8 -5.73 22.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 3.4 m-85 -132.86 91.99 2.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.552 HD11 ' CG ' ' A' ' 96' ' ' MET . 0.4 OUTLIER -98.1 166.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.7 m-85 -121.57 146.19 47.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.093 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.555 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 8.1 t -161.82 -168.17 1.87 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.478 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.85 148.82 37.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.516 ' HB3' HD11 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -75.04 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.566 1.824 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.471 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.9 OUTLIER 59.98 -171.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.7 p -69.74 55.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 55.29 92.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.8 OUTLIER -98.81 -40.53 9.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.893 ' HA ' ' N ' ' A' ' 1' ' ' CYS . 39.4 m -124.56 17.95 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 108.322 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.564 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -157.27 -153.64 6.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.527 ' O ' ' C ' ' A' ' 75' ' ' SER . 89.7 t -116.22 -0.94 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 0.0 109.213 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.527 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.3 OUTLIER 28.07 81.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.856 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -103.43 133.12 49.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.514 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -108.63 -6.98 15.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.568 ' CG2' ' N ' ' A' ' 23' ' ' ALA . 5.7 t 69.28 -56.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.504 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -49.18 -12.36 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.488 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -119.48 -23.93 3.02 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.514 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -110.66 -90.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.228 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 169.69 -88.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.547 ' O ' ' O ' ' A' ' 106' ' ' PRO . 6.7 mp0 -151.89 145.06 24.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.834 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.2 p90 -122.18 155.26 36.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.694 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -85.35 3.32 40.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 -179.884 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.834 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.21 104.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.774 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -126.42 113.38 16.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 16' ' ' ASP . . . -141.61 175.7 22.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.117 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -17.45 14.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.787 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.569 ' HA ' ' CB ' ' A' ' 96' ' ' MET . . . 75.92 176.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.218 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -121.71 -42.08 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 155.69 53.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.436 1.085 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.549 ' C ' ' H ' ' A' ' 95' ' ' LYS . 3.6 m-20 56.87 154.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 0.727 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.02 -10.82 0.74 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.549 ' H ' ' C ' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -175.49 143.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.569 ' CB ' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -144.89 -172.84 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.933 -179.93 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -124.39 128.96 49.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.532 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.525 ' CD1' HG13 ' A' ' 86' ' ' ILE . 4.4 pt -140.42 136.42 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.535 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.7 OUTLIER -137.72 164.03 29.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.564 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -58.44 -43.71 88.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -31.86 73.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.093 . . . . 0.0 108.307 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.475 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.8 t0 -75.63 175.49 8.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.875 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -77.94 116.51 18.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.535 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.2 pt -164.44 133.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -154.24 156.82 32.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.604 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.02 11.24 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.456 1.766 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.603 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.6 t90 71.08 -59.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.022 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.486 ' O ' HG22 ' A' ' 109' ' ' THR . 30.6 t0 -69.56 52.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.675 ' O ' ' C ' ' A' ' 110' ' ' LEU . 3.4 p -158.69 -55.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.675 ' C ' ' O ' ' A' ' 109' ' ' THR . 55.7 mt 10.66 -107.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 147.05 -41.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.618 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.06 -58.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.604 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 37.2 m -54.6 -23.88 18.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.655 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -86.14 -36.19 19.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.959 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.494 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -68.11 -39.07 82.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.947 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.604 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 2.0 pttt -63.93 -16.48 61.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.707 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.48 -5.83 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.988 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.618 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 29.1 mt -76.65 -26.92 55.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.433 ' O ' ' NH1' ' A' ' 121' ' ' ARG . 10.7 p30 -104.86 9.52 34.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.546 ' ND1' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -92.69 25.61 3.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.553 179.968 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.441 ' N ' ' HD3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER 49.85 -91.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.785 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 6.4 p90 -151.95 96.3 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.513 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 1.7 tt0 54.84 61.07 3.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.33 58.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 52.16 25.9 19.28 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.424 1.078 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -170.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.979 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.555 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 51.3 m . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 54.63 16.22 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.449 ' O ' HD13 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -69.09 172.12 7.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 108.327 -179.958 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.8 p -108.03 108.21 61.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.411 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.88 126.06 9.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.811 . . . . 0.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.538 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.3 p -152.57 -134.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 37.39 87.03 0.12 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.57 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 0.6 8.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.482 HE22 ' CD ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -135.68 -44.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.479 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -62.11 -7.6 4.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.917 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.626 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.73 -33.9 27.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.207 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.857 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 m-85 -92.39 7.17 44.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 4.0 m -116.66 -9.35 11.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.506 1.129 . . . . 0.0 108.342 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.479 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.6 OUTLIER -104.11 -40.26 6.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.765 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.31 169.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -145.02 11.59 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.082 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 6.7 p -164.72 92.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.67 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.71 116.19 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.525 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -141.46 127.02 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.61 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 16.4 mtp180 -77.19 36.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.661 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.1 t -58.1 169.11 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.346 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.3 ptmt -125.41 120.47 31.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -91.44 108.46 19.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.505 HG11 ' CB ' ' A' ' 78' ' ' VAL . 1.0 OUTLIER -110.53 -34.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.6 t -119.76 162.73 18.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 4.1 mp0 -145.74 -173.98 4.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.67 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.6 ttpt -153.3 116.52 4.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.481 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 9.2 tt0 -76.8 92.53 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG23 ' NE2' ' A' ' 44' ' ' GLN . 23.2 m -103.42 112.17 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.472 ' N ' ' HZ1' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -59.65 149.74 29.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.444 ' OG ' HG22 ' A' ' 40' ' ' ILE . 2.1 t -134.53 16.29 3.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.39 175.24 36.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.436 1.085 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -82.77 161.29 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -95.17 -162.73 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -78.77 -1.39 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.515 ' CD1' ' OD1' ' A' ' 38' ' ' ASN . 27.0 t80 -98.63 -17.36 18.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.65 -8.65 56.62 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.566 1.166 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.515 ' OD1' ' CD1' ' A' ' 36' ' ' TYR . 0.2 OUTLIER -85.01 154.43 60.68 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.528 0.781 . . . . 0.0 109.373 179.972 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.99 130.25 13.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.444 HG22 ' OG ' ' A' ' 31' ' ' SER . 92.3 mt -64.14 -77.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.628 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.5 tppt? 69.0 123.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 179.934 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.639 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -129.36 67.65 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.97 148.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.67 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.7 mm-40 -90.28 179.36 5.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.628 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.4 OUTLIER -136.32 69.25 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 13.7 tt0 -64.37 68.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.661 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.6 pt -64.24 -169.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.576 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.5 ttpt -127.8 5.26 6.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.576 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 48.32 113.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.06 -30.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.449 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.28 167.14 29.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' PHE . 2.4 ptt? -146.23 68.37 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.6 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -37.76 -80.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.94 -179.883 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 121' ' ' ARG . 0.4 OUTLIER -126.18 72.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -125.96 -164.14 11.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.459 1.099 . . . . 0.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.413 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 -174.44 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.771 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.57 -38.18 40.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 1.5 tpmt? -77.24 -85.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.5 t70 154.12 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.368 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.536 ' CG2' ' HG2' ' A' ' 96' ' ' MET . 0.6 OUTLIER -119.83 71.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.513 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -68.58 -5.98 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 3.1 m-85 -131.8 90.81 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.532 HG21 ' HG3' ' A' ' 96' ' ' MET . 0.4 OUTLIER -97.68 166.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.61 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.1 m-85 -121.01 152.47 38.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.628 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.9 t -166.56 -162.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.568 1.167 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.517 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -104.88 152.7 39.61 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.628 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 17.9 Cg_endo -75.11 -161.19 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.68 -160.3 0.3 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.546 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 87.3 p -83.24 30.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 87.31 95.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.264 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.511 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -107.59 -38.39 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.555 ' HA ' ' N ' ' A' ' 1' ' ' CYS . 14.7 m -122.88 14.22 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.541 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.65 -153.12 6.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.484 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 74.2 t -115.67 0.31 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.744 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 74' ' ' VAL . 5.0 p 33.07 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.954 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.665 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -110.78 134.27 52.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 1.1 p30 -126.09 2.62 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.5 t 69.98 -55.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -53.24 -11.85 1.78 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -119.75 -30.73 1.45 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -110.33 -93.79 0.43 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.525 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 162.74 -81.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.519 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -149.01 160.34 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.835 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 3.4 p90 -148.39 152.14 36.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.69 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.35 2.16 33.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.835 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.91 101.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 -179.928 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.765 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -126.52 107.71 10.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.222 -179.924 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -158.17 154.52 25.6 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.1 OUTLIER -37.37 97.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 109.364 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.494 ' HA ' ' CB ' ' A' ' 96' ' ' MET . . . -50.47 178.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 25.1 tt0 -115.04 -34.53 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 151.56 49.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.512 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 13.0 m-20 57.81 149.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 0.782 . . . . 0.0 109.23 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 70.5 -5.62 6.98 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -178.4 141.54 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 0.713 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.536 ' HG2' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -146.75 -172.34 3.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 111.037 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.63 128.0 48.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.539 ' CD1' HG13 ' A' ' 86' ' ' ILE . 3.2 pt -139.83 134.82 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -135.13 164.87 26.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.412 1.07 . . . . 0.0 110.409 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.541 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -57.87 -43.15 85.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -32.75 74.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.441 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.2 t70 -74.0 168.07 20.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.376 179.915 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.857 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -71.79 118.2 14.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.967 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.0 pt -164.63 135.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.509 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.4 156.54 31.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.59 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.93 9.62 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.428 1.752 . . . . 0.0 111.054 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.567 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 12.0 t90 72.96 -59.56 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 108.028 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.504 ' O ' ' CG2' ' A' ' 109' ' ' THR . 33.0 t70 -69.19 52.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.236 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.681 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.9 p -159.12 -57.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.681 ' C ' ' O ' ' A' ' 109' ' ' THR . 44.6 mt 11.0 -107.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.238 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.18 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.18 -66.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 11.2 m -47.84 -25.1 1.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.463 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.693 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -85.58 -35.28 21.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.95 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.13 -40.55 74.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.558 ' NZ ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -62.47 -21.02 65.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.66 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.24 -14.51 30.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.537 HD12 ' CE2' ' A' ' 53' ' ' PHE . 37.2 mt -68.81 -31.38 70.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -36.36 64.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.572 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 29.4 m170 -60.41 109.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.589 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -32.24 -48.41 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.957 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.782 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.2 OUTLIER 175.28 107.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.443 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 1.3 tt0 48.34 56.56 7.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.572 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -71.82 54.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 0.0 110.958 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 56.3 25.63 48.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.433 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -56.49 -167.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 179.959 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.512 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 12.8 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.444 ' N ' HD23 ' A' ' 100' ' ' LEU . 0.0 OUTLIER 54.51 13.63 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.446 1.091 . . . . 0.0 110.019 -179.962 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 1' ' ' CYS . 3.1 m -66.75 170.33 6.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.348 179.946 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -103.54 111.49 65.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.065 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.96 120.55 6.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.529 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.4 p -147.39 -133.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.08 83.46 0.2 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.574 -179.962 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.44 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.7 Cg_endo -74.94 3.56 5.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.55 1.816 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -140.32 -43.65 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.336 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.0 mt-30 -65.19 -4.14 4.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.6 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.36 -37.07 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.871 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.4 m-85 -85.98 -10.28 55.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.3 m -97.61 -15.06 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 108.306 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.82 -43.77 7.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.776 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.21 170.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER -149.46 13.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 3.3 p -164.93 87.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.669 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -98.45 121.27 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.547 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.1 pt -145.42 126.02 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.673 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.0 mtp180 -77.7 39.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.236 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.633 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.2 t -61.14 166.2 3.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.495 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 15.7 ptmt -120.97 121.3 37.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -92.91 102.28 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG1' HG12 ' A' ' 78' ' ' VAL . 3.8 m -105.83 -35.05 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -116.39 162.11 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.103 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.4 mp0 -144.13 -175.19 4.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.691 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.3 ttpt -154.87 113.8 3.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 7.6 tt0 -74.73 92.08 2.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 4.9 m -97.79 96.56 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -46.72 146.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.529 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.2 t -134.82 18.48 3.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.62 -175.05 27.02 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.474 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.9 m-20 -84.22 166.13 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.0 t0 -96.16 -162.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.522 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -79.88 1.38 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -109.11 -0.61 19.31 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.61 -9.58 73.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.474 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -77.67 154.19 81.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.08 130.28 13.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.529 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 48.4 mt -71.83 -83.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.552 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.32 123.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.601 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -128.43 68.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.972 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.5 145.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.691 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.2 mm-40 -89.5 -178.44 5.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.621 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.98 68.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.3 tt0 -62.34 69.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.622 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.1 pt -68.0 -172.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.575 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.8 ttpt -124.28 7.81 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.575 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.0 mm100 39.37 103.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.495 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -111.24 -33.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.536 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -144.24 162.01 37.46 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -142.26 69.89 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -36.74 -78.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.951 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 8.2 tptp -128.53 70.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -116.33 -164.4 13.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.543 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -74.97 -168.03 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -95.49 -34.77 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.43 -79.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.591 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.4 t70 148.42 163.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.543 HD12 ' CG ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -104.17 -80.06 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.514 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 74.09 -7.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 110.328 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.517 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -141.68 93.74 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.524 HD11 ' CG ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -100.3 170.22 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.594 1.184 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.683 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -124.27 160.01 28.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.621 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.9 t -174.54 -162.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.512 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -109.61 153.63 42.82 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.552 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.5 Cg_endo -74.98 -160.7 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 62.59 -163.7 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.932 179.922 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.7 p -79.29 39.93 0.41 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 75' ' ' SER . . . 75.87 97.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.51 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -107.48 -36.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 99' ' ' THR . 17.1 m -127.09 18.27 7.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.933 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.474 ' O ' ' HB3' ' A' ' 100' ' ' LEU . . . -157.12 -155.91 7.67 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.587 ' O ' ' C ' ' A' ' 75' ' ' SER . 47.6 t -116.51 10.18 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.587 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER 22.95 88.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.659 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -107.76 128.76 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.601 1.188 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.571 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -117.39 -8.04 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.571 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 1.2 t 75.21 -34.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.31 -9.83 25.42 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.489 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -127.01 -37.59 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.556 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -94.66 -100.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.49 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.07 -68.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.208 179.973 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.543 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -159.86 163.36 34.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.834 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.5 p90 -146.97 153.12 39.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.695 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.37 3.86 33.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.834 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 8.99 102.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.776 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -124.78 110.97 14.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 16' ' ' ASP . . . -140.15 -178.68 17.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.08 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -59.94 -19.05 49.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.565 ' HA ' ' CB ' ' A' ' 96' ' ' MET . . . 75.88 -178.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 42.2 tt0 -125.77 -41.69 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.55 53.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 95' ' ' LYS . 12.6 t70 57.03 154.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 0.76 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.488 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 65.21 -4.82 1.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -179.65 144.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.565 ' CB ' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -147.43 -170.83 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.928 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.683 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -130.7 126.32 36.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.6 179.999 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.562 ' CD1' ' CG1' ' A' ' 86' ' ' ILE . 9.3 pt -134.58 140.86 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.555 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 2.2 p -138.23 159.61 41.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.537 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -60.96 -22.47 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -28.8 27.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.447 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 21.1 t0 -81.31 172.73 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.871 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.8 118.23 14.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 99' ' ' THR . 4.9 pt -164.73 137.04 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.521 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -156.49 157.89 31.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.611 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.06 10.85 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.673 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.0 t90 71.51 -60.36 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.481 ' O ' HG22 ' A' ' 109' ' ' THR . 38.2 t70 -70.01 52.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.674 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.7 p -158.16 -58.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.674 ' C ' ' O ' ' A' ' 109' ' ' THR . 51.9 mt 13.06 -107.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 146.56 -41.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.59 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.43 -65.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.488 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 24.5 m -49.48 -28.04 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.742 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -82.32 -31.26 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.311 179.942 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.494 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.3 OUTLIER -75.0 -41.99 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.425 ' O ' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -61.55 -20.26 63.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.682 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.38 -10.37 41.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 110.017 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.612 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 49.6 mt -74.51 -28.01 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -98.93 7.02 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.555 ' CE1' ' HA ' ' A' ' 122' ' ' TYR . 0.0 OUTLIER -77.77 0.2 24.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.574 -179.954 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.41 ' N ' ' HD1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER 69.75 -56.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.227 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.555 ' HA ' ' CE1' ' A' ' 120' ' ' HIS . 7.3 t80 175.17 95.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.063 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.457 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 1.7 tt0 47.25 56.0 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.612 1.195 . . . . 0.0 110.37 -179.907 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.97 55.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 58.45 21.89 50.07 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.411 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -58.58 -167.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.968 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.404 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 2.8 tm-20 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 2' ' ' SER . 1.6 p . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 163.82 42.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.12 -178.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.9 p -135.23 130.04 19.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.427 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -74.96 127.65 10.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.436 1.756 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 8.6 p -146.4 -133.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.535 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER 33.33 88.3 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.614 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 3.12 5.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.549 1.815 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.511 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 6.8 tp-100 -141.35 -45.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 6.5 mt-30 -63.78 -5.61 4.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.608 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.63 -37.97 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.873 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -87.3 3.21 47.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.431 1.082 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 1.7 m -112.5 -15.55 13.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 -179.935 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.1 -36.99 10.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.738 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.03 172.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -150.17 13.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.56 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 11.5 p -167.31 91.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.683 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -101.16 119.26 49.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.539 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -145.17 126.16 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.591 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.4 ttm180 -77.55 38.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.586 1.179 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.612 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.2 t -61.67 166.31 4.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.454 1.096 . . . . 0.0 110.488 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 13.9 ptmt -120.63 121.25 37.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.54 104.79 16.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.488 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 4.4 m -108.95 -34.18 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -116.69 166.51 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -149.56 179.84 7.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.662 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.7 ttpt -147.34 113.17 5.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.446 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.5 tt0 -74.33 90.83 2.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.379 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.41 HG23 ' NE2' ' A' ' 44' ' ' GLN . 10.8 m -98.07 94.6 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.499 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -44.32 147.25 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.528 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.3 t -134.67 17.74 3.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.75 -175.4 26.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.107 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.466 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 9.6 m-80 -84.45 165.89 17.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.78 -161.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.518 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.84 0.32 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -107.9 -0.41 21.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.14 -8.3 77.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -78.51 153.09 78.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -74.98 129.58 12.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.405 1.739 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.528 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 48.8 mt -70.81 -82.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.554 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 68.69 123.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.632 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.5 ptt180 -128.75 68.82 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 28' ' ' GLU . 1.1 mp -42.44 142.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.662 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.5 mm-40 -85.36 -176.34 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.343 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.869 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -138.28 70.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.2 tt0 -63.39 68.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.613 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.1 pt -66.71 -172.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.594 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.4 ttpt -123.63 10.91 9.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.8 mm100 35.79 101.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.496 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -111.25 -32.77 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -142.12 160.28 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.463 ' HG3' ' CG2' ' A' ' 19' ' ' ILE . 31.8 ttm -142.05 67.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CD1' HD21 ' A' ' 118' ' ' LEU . 14.8 m-85 -39.45 -82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.537 ' C ' ' CE ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -123.67 76.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.41 ' N ' ' HE3' ' A' ' 54' ' ' LYS . . . -124.47 -162.89 11.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.505 ' CB ' ' OD1' ' A' ' 93' ' ' ASP . 18.0 Cg_endo -75.02 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -99.4 -34.34 10.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.311 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -72.97 -79.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.93 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.611 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.7 t70 149.57 165.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.503 ' HA ' ' CA ' ' A' ' 94' ' ' GLY . 0.8 OUTLIER -106.94 -79.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.501 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 74.36 -9.21 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -144.12 94.71 2.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.955 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.531 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -98.02 171.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.945 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.65 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -122.57 151.68 41.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.606 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 6.5 t -168.36 -162.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.514 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -107.99 153.3 41.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.554 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo -75.04 -158.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.498 1.789 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 53.96 -170.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 110.025 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -71.03 53.09 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 61.78 102.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.491 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -110.32 -27.65 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 99' ' ' THR . 8.5 m -137.46 13.87 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 108.317 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.55 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.39 -152.71 6.03 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' A' ' 75' ' ' SER . 50.6 t -114.68 3.14 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.237 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 74' ' ' VAL . 60.4 p 28.09 83.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.059 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.869 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -104.09 138.1 41.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.467 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.3 OUTLIER -126.73 0.53 6.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.2 t 70.93 -54.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.348 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.21 -12.63 1.43 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.444 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.25 -29.33 1.97 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -111.31 -93.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.511 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 163.71 -73.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -155.78 164.05 39.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.79 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.3 p90 -150.33 152.36 34.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 1.136 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.691 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.38 3.91 29.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.79 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.68 101.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.741 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -128.46 106.75 9.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -160.38 155.55 26.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -35.0 95.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 0.709 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -55.77 174.72 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.501 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 22.3 tp10 -118.6 -2.76 10.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 141.37 -109.98 0.62 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 0.0 111.063 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.505 ' OD1' ' CB ' ' A' ' 56' ' ' PRO . 77.1 m-20 -143.49 133.63 24.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.503 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 87.89 -4.37 85.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.6 141.66 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.531 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.45 -169.75 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.438 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -124.91 133.69 52.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 179.979 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 64' ' ' TYR . 15.9 pt -145.28 137.41 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.517 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -135.77 159.34 41.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.55 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -55.49 -44.52 76.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.432 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -63.11 -32.34 73.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.476 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.4 t0 -74.11 168.2 20.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.873 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.96 119.28 14.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.523 ' CG2' ' O ' ' A' ' 103' ' ' PHE . 3.4 pt -166.41 135.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.537 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -154.96 157.46 31.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.585 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 10.18 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.447 1.762 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 10.1 t90 72.88 -60.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.491 ' O ' ' CG2' ' A' ' 109' ' ' THR . 25.2 t70 -69.44 53.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 3.3 p -159.11 -56.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.676 ' C ' ' O ' ' A' ' 109' ' ' THR . 65.3 mt 11.69 -106.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.66 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 145.45 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.614 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.62 -63.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.35 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.608 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 6.0 m -50.34 -24.74 3.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.721 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -85.74 -38.49 18.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.4 OUTLIER -65.33 -40.6 93.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.608 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -60.76 -20.56 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.73 -10.38 40.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.057 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.575 HD21 ' CD1' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -87.44 7.21 30.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.408 ' HB2' ' SD ' ' A' ' 124' ' ' MET . 19.2 m-80 -81.41 -72.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.666 ' CB ' ' HG2' ' A' ' 124' ' ' MET . 8.9 t60 -55.09 -102.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.607 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 120' ' ' HIS . 8.4 mtm180 -149.99 -80.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.496 ' HB3' ' CG ' ' A' ' 54' ' ' LYS . 11.8 p90 -132.17 11.63 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.0 OUTLIER -162.72 74.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.666 ' HG2' ' CB ' ' A' ' 120' ' ' HIS . 2.7 mmm -68.13 55.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 41.42 26.22 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.132 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.6 OUTLIER -68.47 -161.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 180.0 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.517 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 5.1 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 2' ' ' SER . 3.2 p . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.3 OUTLIER 158.81 64.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -95.43 158.54 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.281 179.993 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.417 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 19.4 p -92.47 121.37 66.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.999 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.04 121.36 6.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.579 1.831 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 8.8 p -148.4 -134.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.517 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 35.48 89.22 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HB2' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.08 -31.36 6.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.509 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.3 OUTLIER -96.62 -41.29 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.501 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -67.53 -6.34 19.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.612 ' HB2' ' CG ' ' A' ' 103' ' ' PHE . . . -84.49 -36.36 22.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.856 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.8 m-85 -89.78 2.07 55.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 1.2 m -110.73 -11.4 14.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -102.37 -42.17 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.739 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.23 171.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.48 15.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.607 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 11.9 p -165.5 86.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.915 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.679 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -98.48 117.73 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.56 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -143.24 124.71 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.661 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.7 ttp180 -76.57 40.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.612 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.6 t -63.57 171.58 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.489 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 13.7 ptmt -125.08 120.53 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.7 102.69 14.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.487 ' CG1' HG12 ' A' ' 78' ' ' VAL . 3.4 m -105.23 -35.44 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.405 1.066 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -115.94 166.29 12.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.95 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.2 mp0 -150.56 -179.24 7.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.927 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.674 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -145.49 113.88 6.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.446 ' HA ' HD13 ' A' ' 43' ' ' ILE . 3.0 tt0 -74.38 93.0 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.403 HG22 ' NH1' ' A' ' 42' ' ' ARG . 27.4 m -106.42 122.64 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.241 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.54 160.89 18.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 31' ' ' SER . 2.2 t -148.16 19.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.601 1.188 . . . . 0.0 109.957 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.53 177.9 42.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.47 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 9.3 m-20 -85.19 164.5 18.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.2 t70 -95.72 -162.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.502 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 3.0 mp -79.7 0.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.31 -1.06 20.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.56 -8.74 76.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.145 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.47 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.0 p-10 -78.68 153.39 78.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.08 129.97 12.76 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.406 1.74 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.43 HG23 ' HB3' ' A' ' 31' ' ' SER . 52.5 mt -64.17 -78.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.631 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.1 tppt? 69.95 126.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.666 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -131.37 66.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -39.51 141.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.674 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.9 mm-40 -83.65 -177.94 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.64 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.81 70.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.7 tt0 -63.6 67.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.612 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.3 pt -66.57 -177.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.489 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -118.74 -4.17 10.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.511 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 12.8 mm100 55.79 117.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.449 HD13 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -124.09 -35.76 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' HG12 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -143.97 163.36 33.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.508 ' CE ' ' O ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -144.07 64.69 1.31 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 20.7 m-85 -39.39 -81.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.402 1.064 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.607 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -119.32 72.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.441 ' HA2' HG21 ' A' ' 17' ' ' VAL . . . -127.11 -166.92 12.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.508 ' O ' ' CE ' ' A' ' 52' ' ' MET . 18.2 Cg_endo -75.04 -176.17 2.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.432 1.754 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -92.0 -32.6 15.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.666 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -71.91 -80.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.666 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.5 t70 149.27 163.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.511 HG23 ' CG ' ' A' ' 96' ' ' MET . 1.3 mm -106.14 -79.07 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.394 1.059 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 75.64 -8.35 1.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.569 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -145.98 95.89 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.549 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -100.66 171.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.721 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -123.49 148.69 45.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.64 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 9.8 t -166.23 -165.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.569 1.168 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.462 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -99.61 154.52 37.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.631 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.02 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.517 1.798 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.04 -174.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.938 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.559 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 1.4 p -47.59 -44.65 26.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.051 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 158.11 105.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.564 HG21 ' N ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -108.84 -37.61 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.564 ' N ' HG21 ' A' ' 71' ' ' VAL . 19.2 m -130.28 20.69 5.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 108.255 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.584 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -161.96 -156.12 8.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 75' ' ' SER . 69.9 t -115.66 -4.01 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 32.44 85.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.611 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.11 133.1 48.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.598 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -113.79 -9.49 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.961 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.598 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER 76.88 -42.28 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -56.92 -11.7 6.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.488 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -121.31 -32.46 1.05 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.536 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.79 -98.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.609 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 166.11 -74.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.945 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.609 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 10.7 mp0 -151.65 161.15 43.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.817 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 1.8 p90 -145.37 153.4 41.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.693 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.0 2.83 32.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.817 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.28 99.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.75 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -125.18 107.77 11.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.431 ' C ' ' N ' ' A' ' 90' ' ' ALA . . . -141.01 165.94 26.11 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 2.5 tttm -39.47 -31.96 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 85.07 -178.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.584 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.0 tm-20 -136.0 -42.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.42 -146.33 8.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.515 ' O ' ' CE ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -102.43 125.71 49.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 87.75 -3.31 86.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -167.54 139.03 3.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.351 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.584 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -137.21 -157.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.721 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -143.36 124.1 14.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 -179.948 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.504 ' CD1' HG13 ' A' ' 86' ' ' ILE . 1.2 pt -138.6 143.29 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -141.04 164.52 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.584 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.2 pt? -58.94 -49.9 76.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.446 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 5.4 t -62.76 -13.33 31.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 108.362 179.95 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.437 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.3 t0 -92.71 166.66 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.856 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -70.28 115.63 9.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.488 ' CD1' HG22 ' A' ' 74' ' ' VAL . 5.9 pt -163.99 133.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.506 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -155.31 157.99 31.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.571 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 4.65 4.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.661 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 2.0 t90 77.97 -56.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.56 ' O ' ' CG2' ' A' ' 109' ' ' THR . 12.6 t0 -70.6 50.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.66 ' O ' ' C ' ' A' ' 110' ' ' LEU . 19.6 p -159.49 -60.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.66 ' C ' ' O ' ' A' ' 109' ' ' THR . 93.7 mt 16.28 -106.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.618 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.6 m 149.72 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.26 -68.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 110.446 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.509 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 1.1 m -47.71 -24.21 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.805 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -85.84 -32.84 21.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.509 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -71.43 -42.52 68.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.361 179.962 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.471 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -62.11 -21.16 64.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -87.45 -14.4 40.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.606 HD23 ' CZ ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -76.64 -15.83 59.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -75.08 -48.61 23.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.231 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.552 ' HB2' ' CG ' ' A' ' 124' ' ' MET . 0.5 OUTLIER -55.23 154.7 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.635 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.54 ' O ' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -72.59 -45.38 59.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.576 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.1 OUTLIER -177.95 91.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.461 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 1.8 tt0 62.2 66.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.552 ' CG ' ' HB2' ' A' ' 120' ' ' HIS . 2.4 mmt -71.34 55.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 55.27 25.1 39.27 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.92 -169.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.955 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.708 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 77.3 m . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 60.81 12.41 3.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' O ' HD13 ' A' ' 100' ' ' LEU . 1.8 m -68.37 164.83 20.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -103.43 109.76 62.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.962 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.06 127.43 10.64 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.603 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 9.9 p -154.58 -133.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.92 86.67 0.13 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.607 -179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.6 Cg_endo -74.94 0.9 8.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.543 1.812 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.49 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -138.07 -42.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.2 mt-30 -64.83 -4.52 4.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.62 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.21 -37.37 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.871 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.4 m-85 -87.21 -1.76 58.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 -179.922 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 4.1 m -106.76 -15.38 14.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.06 -40.22 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.739 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -55.32 171.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.483 ' OD1' ' CZ ' ' A' ' 122' ' ' TYR . 1.4 m-20 -149.82 15.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 7.3 p -166.77 89.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.699 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -101.14 119.51 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.529 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.1 pt -145.01 125.28 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.653 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.7 mtp180 -76.38 37.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.623 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.2 t -58.56 169.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.503 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 14.9 ptmt -124.17 118.06 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.589 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.45 102.37 14.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.49 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 8.6 m -107.23 -31.96 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.494 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -117.46 164.0 15.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.952 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.9 mp0 -148.99 -179.84 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.9 ttpt -145.82 112.97 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.59 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 4.2 tt0 -74.93 92.23 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.471 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 34.9 m -107.21 116.08 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.496 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.3 m-20 -56.91 161.34 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.457 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.4 t -146.59 18.02 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.957 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.422 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 77.15 177.88 46.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.3 m120 -84.46 163.77 19.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.773 . . . . 0.0 109.33 179.927 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.7 t0 -95.05 -161.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.524 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -81.19 0.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.8 -1.47 19.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.59 -9.0 77.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.8 p-10 -77.74 153.57 80.82 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.778 . . . . 0.0 109.369 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 129.52 12.33 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.457 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 63.4 mt -64.99 -79.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.59 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.2 tppt? 69.25 126.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.643 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -130.61 69.35 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.99 140.48 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.643 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 5.7 mm-40 -82.28 -179.25 7.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.34 67.8 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.617 1.198 . . . . 0.0 110.968 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.494 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 11.4 tt0 -62.72 72.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.623 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.9 pt -67.85 -167.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.643 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.9 ttpt -132.41 10.34 4.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.232 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.643 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 42.76 110.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -118.88 -29.4 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.511 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -151.91 169.96 21.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.445 ' CE ' HG23 ' A' ' 19' ' ' ILE . 2.7 ttm -146.32 70.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.64 ' CZ ' ' CD1' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -41.88 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.973 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 18' ' ' VAL . 19.3 tptt -128.14 73.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.08 -155.93 8.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.435 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.1 Cg_endo -75.07 -170.6 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -89.09 -35.35 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.36 -80.31 0.17 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 153.86 171.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.494 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.8 mm -98.31 -69.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.573 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 72.36 -9.41 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.355 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.551 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -146.2 99.31 3.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 111.005 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.533 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -105.22 172.16 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.782 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -127.24 150.6 49.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.559 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 8.7 t -166.14 -163.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.378 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.486 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -102.89 154.52 37.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.564 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.7 Cg_endo -74.99 -161.3 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.396 1.735 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.06 -172.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.568 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 3.7 p -47.92 -46.88 32.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 156.88 106.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.511 ' O ' ' CD2' ' A' ' 100' ' ' LEU . 1.1 m -109.33 -43.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.708 ' HA ' ' N ' ' A' ' 1' ' ' CYS . 85.7 m -124.0 30.55 6.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.058 . . . . 0.0 108.311 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.499 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -171.22 -160.12 18.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.504 ' O ' ' C ' ' A' ' 75' ' ' SER . 97.2 t -115.06 0.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.504 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 31.03 84.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.437 1.086 . . . . 0.0 110.023 -179.991 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.663 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.4 133.13 49.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.472 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -117.92 -2.27 11.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.59 -53.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.373 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.75 -15.58 0.33 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.911 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.467 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -117.28 -31.59 1.66 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.523 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -104.91 -94.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 0.728 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.9 -66.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.378 -179.965 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -163.28 168.66 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.799 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.2 p90 -152.22 154.05 35.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.684 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.48 2.78 39.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.799 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 11.16 101.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.364 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.761 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -126.61 106.98 9.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' LYS . . . -142.31 173.2 23.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.583 1.177 . . . . 0.0 111.023 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.9 tttm -40.62 -40.86 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 85.76 175.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.1 tp10 -132.86 3.78 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.31 -121.27 3.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -130.65 144.72 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 74.61 -0.16 56.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -176.15 139.77 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.559 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -146.53 -170.38 3.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.946 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.782 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -130.16 128.78 42.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.646 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.552 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.7 pt -138.4 143.61 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.541 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 2.2 p -140.15 167.55 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.638 ' CD2' ' N ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER -65.79 -33.6 76.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.906 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -24.57 61.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.426 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.0 t0 -84.95 169.6 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.871 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -71.37 119.27 15.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.1 pt -165.14 137.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.544 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.18 158.59 32.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.222 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.6 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 10.27 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.653 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.3 t90 72.02 -60.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.508 ' O ' HG22 ' A' ' 109' ' ' THR . 51.2 t0 -70.0 52.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.652 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.6 p -158.12 -59.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.652 ' C ' ' O ' ' A' ' 109' ' ' THR . 57.9 mt 14.0 -107.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.942 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.641 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 146.69 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.25 -66.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.49 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 14.2 m -48.42 -27.58 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.72 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -83.94 -30.02 26.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 110.249 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.483 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.3 OUTLIER -75.62 -40.83 55.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.43 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.14 -20.49 64.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.933 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.696 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -90.58 -13.04 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.015 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.64 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 50.2 mt -72.38 -29.96 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -39.6 63.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.642 ' CD2' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -62.43 128.74 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.607 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -41.95 -80.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.082 . . . . 0.0 110.33 179.964 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.566 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.4 OUTLIER -153.69 95.31 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.561 ' H ' ' CD2' ' A' ' 120' ' ' HIS . 2.2 tt0 63.36 65.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.454 ' HB2' ' HB2' ' A' ' 120' ' ' HIS . 2.8 mmt -70.86 53.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.94 21.44 16.82 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.945 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -167.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.941 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.609 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 63.2 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 57.91 11.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.2 175.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 108.252 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.5 p -112.98 106.48 55.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.91 125.29 9.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 7.2 p -149.61 -132.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.522 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 36.74 87.4 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.629 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.808 . . . . 0.0 110.948 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.503 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 8.6 tp-100 -138.91 -43.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.6 mt-30 -65.29 -4.75 5.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.611 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -84.43 -36.43 22.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.897 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -89.25 -1.56 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.68 -15.06 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 0.0 108.361 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.25 -39.93 9.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.686 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.57 172.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.02 15.77 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.539 ' HA ' ' CA ' ' A' ' 55' ' ' GLY . 3.5 p -165.64 87.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.576 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -100.26 119.96 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.567 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.95 123.22 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.675 ' CZ ' ' CZ3' ' A' ' 107' ' ' TRP . 2.1 ttm180 -75.7 39.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.414 1.072 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.626 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.2 t -60.39 172.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.8 ptmt -126.33 119.33 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.61 99.06 11.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.488 ' CG1' HG12 ' A' ' 78' ' ' VAL . 6.2 m -101.66 -35.72 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.6 t -115.09 164.24 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -146.72 -173.26 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.696 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.0 ttpt -153.09 119.04 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.39 1.056 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.502 ' CB ' HD13 ' A' ' 43' ' ' ILE . 6.2 tt0 -79.51 94.93 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.745 ' N ' ' HZ3' ' A' ' 41' ' ' LYS . 33.2 m -108.86 92.99 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.404 ' HA ' ' HE3' ' A' ' 41' ' ' LYS . 1.2 m-20 -49.87 141.33 10.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 31' ' ' SER . 3.0 t -122.8 32.8 5.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.13 -171.45 0.58 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -86.19 164.79 17.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 0.811 . . . . 0.0 109.342 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.6 t0 -96.47 -160.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.525 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.5 1.93 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -107.64 -2.57 20.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.26 -6.86 82.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 11.7 p-10 -83.14 153.21 66.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.258 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 129.29 12.18 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.525 1.803 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.458 HG22 ' OG ' ' A' ' 31' ' ' SER . 65.3 mt -69.61 -80.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.745 ' HZ3' ' N ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER 71.77 121.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.542 ' N ' ' HE2' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -137.58 76.03 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 -179.995 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -49.89 153.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.696 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.0 mm-40 -90.96 178.74 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.707 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -135.54 68.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.3 tt0 -63.25 71.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.626 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.2 pt -68.38 -168.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.605 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.7 ttpt -131.15 13.72 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 39.01 105.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.502 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -115.66 -27.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -151.62 161.61 42.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.05 78.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.597 ' CD2' ' CD2' ' A' ' 118' ' ' LEU . 10.7 m-85 -53.09 -69.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' A' ' 18' ' ' VAL . 3.8 tptt -133.25 165.18 25.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.539 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 126.31 -137.01 9.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 111.029 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.421 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -74.94 -167.84 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -112.3 -30.27 7.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.96 -78.31 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.3 t0 154.76 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.516 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -104.15 -72.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.568 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.8 mt-10 73.69 -9.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.314 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.536 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -146.24 97.99 3.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.547 1.154 . . . . 0.0 111.051 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.522 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -103.86 165.65 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.596 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.2 m-85 -120.68 146.03 46.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.92 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.707 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 10.1 t -164.65 -161.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.354 -179.93 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.465 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.61 146.13 32.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.566 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.03 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 65.92 -159.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 92.3 p -78.91 31.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' A' ' 68' ' ' SER . . . 78.23 106.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.529 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -113.04 -38.98 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.609 ' HA ' ' N ' ' A' ' 1' ' ' CYS . 14.2 m -124.26 14.33 8.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.561 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.42 -154.65 6.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.512 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 68.6 t -111.36 -2.7 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.469 ' HB3' ' CA ' ' A' ' 70' ' ' ALA . 16.4 p 34.53 80.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.606 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.24 130.89 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.59 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.65 -10.67 11.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.926 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.59 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 2.1 t 74.51 -15.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.631 1.207 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -75.05 -7.87 82.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.488 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -133.15 -31.0 0.45 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.528 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -97.76 -99.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.636 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 167.41 -72.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 16.8 mp0 -154.62 162.4 41.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.233 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.776 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.3 p90 -143.93 152.52 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.681 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.32 3.02 33.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.776 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.89 102.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.688 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -131.18 103.09 6.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -157.89 166.3 33.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -37.88 97.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.485 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . . . -63.52 174.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.518 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.4 tp10 -124.47 4.29 8.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.95 -120.43 2.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.1 133.8 41.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.467 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 88.28 -3.28 85.49 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.536 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.44 143.25 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.522 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -147.98 -169.65 3.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.48 131.32 51.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.6 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.513 ' CD1' HG13 ' A' ' 86' ' ' ILE . 7.8 pt -142.79 143.79 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.536 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -142.09 162.76 34.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.561 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.6 OUTLIER -58.74 -43.16 90.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.428 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -63.96 -31.97 73.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.289 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.431 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.8 t0 -75.13 167.57 21.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.897 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -70.78 119.66 15.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' A' ' 99' ' ' THR . 5.0 pt -165.99 134.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.79 157.53 31.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.578 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 7.12 3.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.675 ' CZ3' ' CZ ' ' A' ' 20' ' ' ARG . 3.3 t90 75.47 -57.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.519 ' O ' ' CG2' ' A' ' 109' ' ' THR . 10.5 t70 -69.7 50.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.706 ' O ' ' C ' ' A' ' 110' ' ' LEU . 13.1 p -158.65 -52.16 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.924 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.706 ' C ' ' O ' ' A' ' 109' ' ' THR . 49.0 mt 6.03 -107.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.651 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.46 -41.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.041 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.622 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.04 -63.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.379 179.942 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.647 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 5.2 m -49.82 -21.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.342 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.708 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -88.92 -40.12 13.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.49 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 1.4 mtmt -65.84 -37.97 87.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.647 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.22 -20.98 64.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.594 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -89.94 -20.59 23.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.597 ' CD2' ' CD2' ' A' ' 53' ' ' PHE . 1.3 mt -78.61 -0.87 31.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -74.87 -60.55 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.647 ' HB2' ' HG2' ' A' ' 124' ' ' MET . 4.1 m170 -63.84 -99.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.538 ' CD ' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -159.9 -77.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.295 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.431 ' HB3' ' HG2' ' A' ' 54' ' ' LYS . 29.7 p90 -129.22 3.75 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.0 OUTLIER -160.68 76.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 -179.969 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.647 ' HG2' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -67.1 55.6 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 111.014 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 40.29 27.77 0.16 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 9' ' ' GLN . 0.5 OUTLIER -66.86 -168.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.407 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 4.2 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 3' ' ' CYS . 42.5 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.461 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 8.5 p -64.11 67.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.996 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.545 ' N ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.28 167.66 15.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 108.315 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 53.4 p -84.44 121.99 75.14 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.95 69.63 5.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.523 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.4 p -83.18 -134.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.38 95.58 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.623 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.499 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -75.03 -33.69 4.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.554 ' NE2' ' HG ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -113.73 -33.99 5.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 0.0 110.368 179.964 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.609 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.4 OUTLIER -61.92 -11.32 12.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.236 -179.978 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.614 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.17 -36.74 24.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.876 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -88.3 0.01 56.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 3.6 m -108.32 -11.45 15.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 108.318 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.609 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.4 OUTLIER -101.01 -41.44 6.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.229 -179.94 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.783 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.56 170.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.603 1.189 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -148.73 14.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.518 HG13 ' CB ' ' A' ' 90' ' ' ALA . 9.2 p -165.65 88.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.647 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.75 116.51 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.527 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -141.33 124.77 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.658 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.3 mtp180 -76.25 39.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.61 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.7 t -60.37 177.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 14.3 ptmt -132.75 119.49 20.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.595 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.01 99.12 11.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.486 ' CG1' HG12 ' A' ' 78' ' ' VAL . 2.8 m -100.48 -37.51 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.565 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -105.54 170.72 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.948 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.509 ' HG3' ' CG2' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -155.32 151.54 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.281 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.701 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.5 ttpt -124.62 105.13 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 1.4 tt0 -72.41 90.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.945 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.401 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 27.0 m -101.68 126.09 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.24 159.42 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.8 t -144.72 18.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.63 -179.81 43.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.466 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 7.3 m-20 -85.33 164.19 18.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.18 -161.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.529 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -80.77 -0.49 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -107.27 -0.37 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.23 -8.24 77.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.418 1.074 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.68 153.09 78.28 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.6 Cg_endo -75.01 128.66 11.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.431 HG22 ' OG ' ' A' ' 31' ' ' SER . 47.4 mt -64.63 -79.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.635 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 11.9 tppt? 69.19 125.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.683 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -129.97 67.78 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.509 ' CG2' ' HG3' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -38.81 145.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.701 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 11.7 mm-40 -91.05 -179.88 5.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.699 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.7 OUTLIER -136.4 69.05 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.178 . . . . 0.0 111.004 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.565 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.6 tt0 -62.93 68.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.618 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 2.7 pt -64.88 -170.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -129.56 2.01 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.497 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.3 119.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.98 -27.93 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.53 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -157.36 169.23 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -145.33 66.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.952 -179.952 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.627 ' CE2' ' HD2' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -36.95 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.489 ' CD ' ' HB3' ' A' ' 122' ' ' TYR . 2.0 tptt -127.93 69.8 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.85 -157.06 9.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.488 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -74.98 -174.87 2.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -92.53 -32.84 14.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.347 179.929 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -77.57 -80.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 151.39 169.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.488 HD12 ' CG ' ' A' ' 56' ' ' PRO . 1.3 mm -102.38 -72.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.557 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 75.1 -7.76 1.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.583 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -149.24 102.61 3.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.911 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.544 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -108.44 164.37 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 4.4 m-85 -117.51 152.97 33.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.699 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 9.9 t -169.81 -160.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.487 ' CB ' HG23 ' A' ' 71' ' ' VAL . . . -104.32 155.1 37.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.635 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.06 -159.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.47 1.773 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.93 -174.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.676 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 2.1 t -52.4 -32.17 37.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.676 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 149.34 108.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.529 HG21 ' SG ' ' A' ' 1' ' ' CYS . 1.3 m -110.05 -45.2 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.521 ' N ' HG21 ' A' ' 71' ' ' VAL . 71.0 m -124.32 15.62 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.215 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.559 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -151.04 -158.41 8.3 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.488 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 52.9 t -114.24 -4.58 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.542 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 35.72 89.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.666 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -106.28 131.58 53.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.518 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -114.98 -6.24 12.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.946 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 70.78 -48.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 -179.971 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.463 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.43 -18.07 0.3 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.497 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.38 -34.97 1.14 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.555 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -97.05 -97.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 0.0 109.332 -179.956 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.58 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -159.37 164.2 34.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.812 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.0 p90 -146.67 153.89 40.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.591 1.182 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.696 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.66 3.55 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.812 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.76 102.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.783 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -127.47 112.12 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -145.41 -179.16 21.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.11 -34.62 14.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.571 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 81.63 173.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.1 tp10 -134.68 6.85 3.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.2 -123.65 4.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -128.47 144.02 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 78.58 -3.49 63.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.61 144.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.783 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.571 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -146.83 -169.18 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.961 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.484 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -127.55 129.87 48.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.6 179.959 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.523 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.2 pt -143.16 143.0 25.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.556 ' OG1' ' HB2' ' A' ' 102' ' ' ASP . 0.6 OUTLIER -138.95 166.67 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.559 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -62.09 -50.62 71.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.246 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.471 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 5.3 t -62.63 -14.63 45.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.319 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.556 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.9 t0 -89.33 168.58 12.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.876 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -71.38 115.14 10.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.426 1.079 . . . . 0.0 111.015 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.534 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.3 pt -164.6 135.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.541 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -154.75 158.34 32.18 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.612 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 11.54 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.658 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.9 t90 70.7 -61.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.471 ' O ' HG22 ' A' ' 109' ' ' THR . 48.1 t0 -69.12 52.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.659 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.6 p -157.92 -57.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.443 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.659 ' C ' ' O ' ' A' ' 109' ' ' THR . 62.5 mt 14.17 -107.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 148.43 -42.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.05 -59.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.608 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 31.8 m -54.72 -22.96 15.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.446 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.66 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -86.78 -34.43 19.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.944 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.482 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.6 OUTLIER -69.48 -38.54 77.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.608 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 3.0 pttt -63.73 -17.12 62.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.697 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.23 -5.98 32.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.614 ' CD1' ' CZ ' ' A' ' 53' ' ' PHE . 22.6 mt -75.85 -30.25 58.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -100.58 8.0 43.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.611 ' CD2' ' O ' ' A' ' 117' ' ' SER . 0.1 OUTLIER -92.46 31.26 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.561 -179.931 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 45.32 -92.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.786 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 1.7 p90 -150.94 95.94 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.072 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 125' ' ' GLY . 1.0 OUTLIER 55.84 62.59 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.355 -179.925 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.0 57.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 50.87 25.97 10.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.4 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -56.21 -169.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.992 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.995 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 1.5 p 155.22 39.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.408 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 2.8 m -64.4 -169.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 108.331 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.3 p -125.61 118.59 24.51 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.96 85.29 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.523 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 7.6 p -103.16 -133.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.523 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 33.51 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.601 179.979 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.442 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -74.96 3.4 5.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.43 ' OE1' ' OG ' ' A' ' 117' ' ' SER . 4.1 tp-100 -140.05 -41.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.571 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -64.9 -7.58 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.967 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.624 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.45 -35.26 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.859 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -90.51 7.78 37.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 123' ' ' GLN . 2.1 m -117.16 -11.06 10.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 108.333 179.99 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.571 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -101.03 -38.14 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.689 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.51 173.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -148.97 11.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 2.6 p -167.25 90.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.581 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -99.74 119.44 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.528 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -144.29 125.1 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.689 ' CZ ' ' CZ2' ' A' ' 107' ' ' TRP . 3.2 mtp180 -76.32 39.92 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.618 ' CG2' HD11 ' A' ' 47' ' ' ILE . 1.8 t -61.48 175.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.102 . . . . 0.0 110.404 -179.953 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 13.6 ptmt -130.35 119.69 23.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.628 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -93.34 101.53 13.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.928 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.451 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 2.8 m -103.61 -33.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.492 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.7 t -117.76 162.22 18.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -145.66 -174.56 4.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.97 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.634 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.2 ttpt -152.84 113.01 3.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.509 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -75.67 90.6 2.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.234 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.2 m -99.46 83.41 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.74 143.07 2.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.512 ' OG ' ' O ' ' A' ' 31' ' ' SER . 2.0 t -127.06 32.02 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.96 -171.64 7.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.444 1.09 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -83.89 165.09 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.2 t70 -96.27 -162.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.511 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.9 mp -79.74 0.91 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -107.63 -3.05 19.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.97 -6.92 83.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.492 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -80.63 153.35 73.28 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.506 0.768 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.05 128.2 11.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.46 1.769 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.474 HG21 ' N ' ' A' ' 41' ' ' LYS . 36.8 mt -70.92 -94.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' N ' HG21 ' A' ' 40' ' ' ILE . 25.0 ttmt 73.73 125.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.643 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -129.58 68.62 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.952 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.545 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -37.96 143.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.643 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 8.1 mm-40 -86.2 -177.73 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.6 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -138.69 65.3 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.949 -179.959 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 9.8 tt0 -60.49 71.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.628 ' HA ' ' HA ' ' A' ' 23' ' ' ALA . 2.8 pt -67.41 -173.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.8 ttpt -125.76 -0.23 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.478 ' NE2' ' OD1' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 57.8 124.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.431 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -130.14 -30.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.52 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -156.14 169.83 23.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.62 70.16 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 0.7 OUTLIER -39.76 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.974 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.535 ' HB3' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -133.05 65.12 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.09 -156.21 10.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.575 1.172 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.52 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -74.98 -166.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.598 1.841 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.53 -37.13 12.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.08 -82.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.953 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 6.2 t0 159.56 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.931 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.587 HG13 ' SD ' ' A' ' 96' ' ' MET . 1.2 mm -98.6 -72.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.373 179.947 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.599 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 73.01 -6.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.96 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.597 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -149.8 98.36 2.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.974 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.534 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -105.4 171.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.956 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.734 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -122.84 150.04 43.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 1.084 . . . . 0.0 110.971 -179.957 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.6 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 5.2 t -166.44 -171.2 1.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.381 179.936 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.496 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -100.15 150.36 36.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.545 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.5 Cg_endo -75.0 -160.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 58.07 -165.03 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.972 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.1 p -74.93 43.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.054 179.95 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 68' ' ' SER . . . 71.1 104.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.655 HG21 ' N ' ' A' ' 72' ' ' CYS . 1.4 m -106.9 -34.94 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.655 ' N ' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -134.4 14.77 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.267 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.563 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.07 -158.94 8.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.495 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 70.9 t -111.56 -1.44 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 0.771 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 74' ' ' VAL . 67.0 p 31.98 83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.645 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.41 132.83 49.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.572 ' C ' ' H ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -116.6 -8.74 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.233 -179.947 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.544 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 1.2 t 74.27 -29.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.14 -11.4 32.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.568 1.167 . . . . 0.0 110.991 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.478 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -127.79 -34.53 0.55 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.551 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -94.27 -101.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 166.42 -63.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.6 OUTLIER -162.21 167.15 24.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.803 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.0 p90 -151.03 153.79 35.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.445 1.09 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.695 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.52 3.58 31.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.238 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.803 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 9.83 103.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.756 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -129.66 106.76 8.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.417 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -157.39 170.92 34.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -48.76 97.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.45 ' HA ' ' HB3' ' A' ' 96' ' ' MET . . . -52.43 178.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.527 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 32.0 tt0 -118.64 -34.41 4.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.946 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.523 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 149.86 51.5 0.02 OUTLIER Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.523 ' O ' ' O ' ' A' ' 92' ' ' GLY . 1.8 m-20 55.35 153.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.458 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 65.62 -3.68 2.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -179.78 140.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.587 ' SD ' HG13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -147.8 -173.27 4.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.734 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.24 129.21 50.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.577 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.553 ' CD1' HG13 ' A' ' 86' ' ' ILE . 3.7 pt -140.03 138.19 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.564 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 1.6 p -136.92 168.08 20.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.563 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.5 OUTLIER -63.17 -43.08 99.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.414 ' SG ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -64.89 -26.26 68.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.294 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.485 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 2.9 t70 -81.83 169.69 16.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.859 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -73.11 119.14 16.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.995 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.564 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.9 pt -165.76 136.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.387 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.556 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -155.0 158.39 32.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.9 11.09 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.409 1.741 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.689 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 17.5 t90 71.68 -62.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 107.961 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.456 ' O ' HG22 ' A' ' 109' ' ' THR . 8.6 t70 -69.67 53.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.689 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.2 p -158.26 -54.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.689 ' C ' ' O ' ' A' ' 109' ' ' THR . 51.3 mt 8.55 -107.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 147.66 -39.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.617 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.29 -65.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.418 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.512 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 22.6 m -48.21 -27.4 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.465 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.703 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -82.92 -35.94 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.239 -179.979 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.461 ' HG3' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -67.74 -42.68 81.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.76 -18.12 58.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.653 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.63 -15.33 26.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.964 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 93.9 mt -72.62 -28.47 62.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -92.46 -18.05 23.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.369 179.893 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.587 ' CD2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -86.68 35.61 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.626 179.992 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.503 ' HD3' ' N ' ' A' ' 121' ' ' ARG . 1.8 mpt_? 63.03 -96.35 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.086 . . . . 0.0 110.336 -179.937 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.547 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 13.3 p90 -165.51 13.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 2.7 tt0 173.66 58.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.209 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.587 ' SD ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.82 54.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.976 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 47.6 23.0 1.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.7 OUTLIER -60.25 -165.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.437 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.249 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.624 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 37.6 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.403 ' OG ' ' C ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 67.46 3.08 3.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.954 -179.984 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 m -55.75 -178.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.293 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.8 p -114.13 110.37 48.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.454 1.765 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 8.1 p -140.48 -132.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.514 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 33.97 84.49 0.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.628 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.0 Cg_endo -75.07 3.34 5.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 5.9 tp-100 -138.23 -43.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.7 mt-30 -65.39 -5.77 8.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.221 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.606 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -83.45 -36.19 24.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.929 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -88.43 1.74 54.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 2.8 m -111.43 -14.63 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.356 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.4 -39.13 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.754 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -52.97 170.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.21 11.8 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 10.8 p -165.7 93.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.677 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -103.15 119.4 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.521 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.6 OUTLIER -143.14 126.4 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.922 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.688 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.2 mtp180 -77.34 37.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 179.942 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.693 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.6 t -61.09 166.3 3.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 18.4 ptmt -123.1 120.2 32.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.603 1.189 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.593 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -91.76 101.2 13.8 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.1 m -101.86 -35.23 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.3 t -119.2 165.38 14.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.4 mp0 -147.82 -174.64 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -153.2 118.35 5.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.471 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 7.6 tt0 -77.67 94.96 4.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.924 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.415 HG23 ' NE2' ' A' ' 44' ' ' GLN . 15.5 m -105.32 109.57 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 109.377 179.941 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.498 ' N ' ' HZ1' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -54.49 154.13 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.381 -179.995 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.512 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.2 t -141.13 18.71 2.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 -179.969 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 73.6 178.7 37.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m120 -84.23 164.03 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.4 t0 -95.28 -161.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.52 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -80.12 0.14 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.391 179.895 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -107.98 -0.78 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.36 -8.71 76.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.484 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -78.35 153.03 79.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.261 -179.925 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 129.44 12.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.512 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 58.1 mt -65.88 -79.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.605 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 14.0 tppt? 69.11 124.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.597 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.86 66.53 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.936 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.37 149.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 -179.959 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.651 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.4 mm-40 -91.06 -178.97 5.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.895 ' HH ' ' H ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.2 70.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 -179.968 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.8 tt0 -65.02 66.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.57 1.168 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.693 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.5 pt -63.84 -170.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.936 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.61 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -128.38 10.22 6.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.61 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.1 tp-100 43.66 108.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.478 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -117.78 -26.16 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -158.0 167.36 30.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' PHE . 8.8 ptm -145.77 68.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.645 ' CE2' ' CD2' ' A' ' 118' ' ' LEU . 1.0 OUTLIER -37.1 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.938 -179.939 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.547 ' CD ' ' HB3' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -127.03 74.79 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -130.01 -163.26 11.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.42 ' HG3' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -74.98 -172.39 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.793 . . . . 0.0 111.053 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.23 -37.61 21.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.63 -86.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 2.1 t70 151.6 163.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.624 HG13 ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -118.77 75.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -70.08 -5.68 28.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.248 179.979 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.531 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 7.5 m-85 -134.87 92.37 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.594 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 0.4 OUTLIER -96.26 166.54 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.599 ' CE1' ' OE1' ' A' ' 44' ' ' GLN . 18.8 m-85 -117.26 147.41 42.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 111.065 179.953 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.63 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 5.4 t -164.77 -168.05 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.516 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -99.32 153.46 37.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.605 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.5 Cg_endo -74.92 -161.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.99 -175.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.934 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.548 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 6.7 t -45.6 -46.93 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 158.72 101.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.497 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -105.97 -41.13 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.624 ' HA ' ' N ' ' A' ' 1' ' ' CYS . 24.6 m -126.72 25.37 6.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 108.206 -179.944 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.475 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -166.95 -160.13 13.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.49 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 74.2 t -112.59 -4.97 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 33.88 82.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.903 179.937 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.895 ' H ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -102.19 132.29 48.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.592 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -112.59 -11.08 13.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.952 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.592 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 2.6 t 73.98 -15.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.532 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -75.85 -12.14 84.13 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.462 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -128.59 -22.37 1.32 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.524 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -104.43 -97.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 109.358 179.92 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.518 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 162.93 -58.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.518 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -167.64 169.86 11.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.789 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.7 p90 -152.64 152.78 32.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.686 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.77 2.58 37.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.789 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.53 102.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.754 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -129.16 109.34 11.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -142.89 174.01 23.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -46.42 -28.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 89' ' ' LYS . . . 82.6 175.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.555 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 6.7 tp10 -132.67 -10.78 3.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.3 -125.1 2.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -124.77 144.5 50.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.746 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 75.35 -3.69 46.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.154 . . . . 0.0 110.949 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.545 ' HA ' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -177.92 138.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 0.799 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.624 ' SD ' HG13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -133.34 -161.37 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.965 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.428 ' ND1' ' OE1' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -131.46 122.59 26.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.659 179.998 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.533 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.5 pt -138.02 134.74 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.548 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 1.3 p -135.12 167.99 19.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.585 ' CD2' ' N ' ' A' ' 1' ' ' CYS . 0.3 OUTLIER -63.93 -31.98 73.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -24.86 58.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 108.282 -179.988 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.41 ' O ' HG12 ' A' ' 104' ' ' ILE . 10.0 t0 -85.31 168.05 15.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.929 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -69.92 118.27 12.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.548 ' CD1' ' O ' ' A' ' 99' ' ' THR . 6.6 pt -164.93 134.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.555 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -153.48 158.84 32.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 -179.945 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.624 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 17.9 Cg_endo -75.04 10.92 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.688 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.8 t90 71.4 -61.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.029 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.453 ' O ' HG22 ' A' ' 109' ' ' THR . 46.1 t0 -70.45 52.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.39 179.944 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.659 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -157.08 -58.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.466 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.659 ' C ' ' O ' ' A' ' 109' ' ' THR . 56.1 mt 14.91 -107.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.654 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 146.37 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.947 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.622 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.03 -63.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.56 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 3.4 m -50.76 -22.9 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 -179.951 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.704 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -87.9 -34.73 18.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.324 179.981 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.531 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -70.19 -39.82 74.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.56 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.47 -14.82 45.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.43 -12.28 21.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.94 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.645 ' CD2' ' CE2' ' A' ' 53' ' ' PHE . 4.2 mt -86.87 1.71 51.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -74.33 -50.03 20.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.685 ' CE1' ' CE ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -77.42 -108.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.664 ' HG2' ' C ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -148.42 -72.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.365 179.979 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 19.3 p90 -135.24 10.5 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.6 OUTLIER -166.05 75.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 179.992 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.685 ' CE ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -67.0 54.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 0.0 110.992 -179.995 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 43.86 23.98 0.44 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 179.954 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.6 OUTLIER -63.17 -166.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.939 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.437 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 3.8 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.242 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.749 ' O ' ' CB ' ' A' ' 2' ' ' SER . 93.9 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.749 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 83.6 p 117.83 -20.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.019 -179.906 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 4' ' ' SER . 1.7 t -41.26 161.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 108.357 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.464 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 23.4 p -94.53 112.4 57.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.2 7.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.458 1.767 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.578 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.3 p -148.6 -133.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.01 89.57 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.602 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.02 -29.09 8.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.477 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 4.1 tp-100 -108.58 -27.12 10.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -76.79 -9.33 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 179.991 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' A' ' 103' ' ' PHE . . . -83.13 -35.95 25.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.913 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -90.83 6.95 42.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.961 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.44 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 11.4 m -116.04 -7.94 11.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.412 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.3 OUTLIER -105.83 -39.25 6.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 179.936 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.713 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.04 171.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.67 14.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 8.6 p -166.4 88.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.588 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.96 118.19 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.533 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -142.15 125.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.624 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.9 ttp85 -77.19 40.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.617 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.5 t -62.73 176.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 14.2 ptmt -129.44 120.36 25.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.06 104.63 16.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.509 ' CG1' HG12 ' A' ' 78' ' ' VAL . 3.2 m -107.95 -35.28 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 5.4 t -115.31 161.27 18.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -143.42 -172.69 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 1.067 . . . . 0.0 110.245 -179.956 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.697 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.2 ttpt -154.86 118.24 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.496 ' CB ' HD13 ' A' ' 43' ' ' ILE . 2.7 tt0 -77.72 94.81 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 11.5 m -103.72 83.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.28 142.24 7.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.541 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.3 t -127.76 32.06 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.96 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 59.54 -170.45 6.09 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.2 m120 -84.02 165.66 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.594 0.82 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.8 t70 -95.97 -161.66 0.89 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.513 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.9 mp -80.92 0.39 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -107.42 -1.17 21.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.87 -8.52 77.63 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.6 p-10 -79.08 153.47 77.3 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.96 129.93 12.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.778 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 41' ' ' LYS . 40.7 mt -73.79 -94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.532 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 28.7 ttmt 71.94 123.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.619 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -130.0 73.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -40.23 153.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.697 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 11.8 mm-40 -94.08 -178.24 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.634 ' CZ ' ' CG2' ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.77 67.39 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.999 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.9 tt0 -62.15 70.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.628 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.2 pt -67.36 -173.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.1 ttpt -123.6 -2.51 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 57.17 123.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.518 HD12 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -132.65 -33.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -147.8 164.23 34.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.944 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.58 67.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.602 ' CD1' HD21 ' A' ' 118' ' ' LEU . 20.5 m-85 -39.7 -77.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.24 71.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.53 -157.61 9.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.04 -173.22 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.812 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -83.76 -36.92 23.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.382 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -85.03 -78.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.1 t70 154.64 171.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.49 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 2.0 mm -94.36 -72.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.599 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 73.57 -5.86 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -147.77 97.12 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.531 HD11 ' CG ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -107.86 169.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.622 ' CE2' ' OE1' ' A' ' 44' ' ' GLN . 5.0 m-85 -122.01 157.85 30.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.922 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.634 ' CG2' ' CZ ' ' A' ' 45' ' ' TYR . 8.9 t -174.9 -161.64 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.439 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -92.65 153.11 42.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' A' ' 68' ' ' SER . 18.4 Cg_endo -74.98 -61.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.577 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -38.87 168.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.641 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 11.1 p -37.9 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 -179.942 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.641 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 152.11 95.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.577 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.8 OUTLIER -106.96 -44.35 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.569 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 8.3 m -118.01 18.35 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 108.317 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.602 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -160.18 -157.54 8.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.456 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 88.3 t -112.4 -18.25 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.362 179.909 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.518 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 50.03 86.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.958 -179.967 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.667 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -104.55 132.17 51.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.531 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.32 -4.96 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.571 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 74.12 -53.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.98 -15.41 0.55 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.522 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -115.8 -33.02 1.61 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.522 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -105.34 -97.04 0.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.571 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.85 -77.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.408 1.068 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 12.1 mp0 -150.2 157.73 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.815 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.0 p90 -142.45 154.5 44.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.415 1.072 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.676 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.54 0.64 45.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.815 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.37 99.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.754 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -123.97 107.15 11.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -156.02 163.92 32.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -44.57 95.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.494 ' HA ' ' CB ' ' A' ' 96' ' ' MET . . . -50.48 -179.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 71.1 tt0 -120.13 -38.0 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.894 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.58 50.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.508 ' O ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 56.54 152.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.457 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 66.5 -3.22 3.71 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.42 1.075 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -179.62 140.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.531 ' CG ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.58 -170.73 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.963 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.31 125.92 37.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.382 1.051 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.519 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.9 pt -136.45 148.54 27.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.536 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.2 OUTLIER -145.57 166.66 25.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.369 179.989 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.602 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.1 pt? -60.37 -49.13 78.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 4.1 t -62.3 -21.21 65.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 108.323 179.992 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.4 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.3 t0 -84.01 167.85 16.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.913 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -72.09 116.59 12.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.945 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' A' ' 99' ' ' THR . 5.1 pt -163.15 136.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.236 179.961 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.519 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -158.85 155.99 25.86 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.568 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.97 7.91 2.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.444 1.76 . . . . 0.0 111.048 179.932 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.624 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 2.2 t90 74.95 -57.93 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 108.032 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.551 ' O ' ' CG2' ' A' ' 109' ' ' THR . 18.2 t70 -69.23 50.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 17.0 p -159.59 -49.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 110.402 -179.945 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.708 ' C ' ' O ' ' A' ' 109' ' ' THR . 46.4 mt 5.19 -107.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.639 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.9 m 148.06 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.627 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 157.57 -62.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 12.0 m -52.15 -25.81 9.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.39 1.056 . . . . 0.0 110.328 -179.966 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.691 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -82.22 -37.65 25.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.952 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.49 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -68.21 -43.36 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.969 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.463 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -63.57 -14.48 51.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.618 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -95.21 -25.89 16.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.602 HD21 ' CD1' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -63.07 -28.83 70.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -88.89 -5.86 57.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.573 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 1.4 m170 -90.83 31.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.444 ' C ' ' HG2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER 41.19 -95.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.247 179.97 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.707 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 19.8 p90 -140.3 96.22 3.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 125' ' ' GLY . 2.2 tt0 54.0 65.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.573 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -66.11 59.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 110.98 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 53.79 23.47 22.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.03 -170.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.976 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.516 ' HA ' ' CB ' ' A' ' 72' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 . . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.482 ' C ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -32.97 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 -179.942 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 13.3 t -142.87 148.99 37.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 108.237 -179.927 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.4 p -71.68 110.91 8.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 179.927 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.3 Cg_endo -75.0 86.09 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 111.025 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.552 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 8.8 p -108.25 -133.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER 40.01 88.04 0.1 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.02 -27.26 10.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.508 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 6.3 tp-100 -113.48 -28.99 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -73.04 -6.39 45.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.616 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -85.1 -35.52 21.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.88 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -91.15 6.14 46.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 1.4 m -115.17 -10.04 12.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.487 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.3 OUTLIER -104.42 -38.55 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.724 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.97 170.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.377 1.048 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.88 14.53 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 12.4 p -165.87 89.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.701 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -100.68 117.58 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.539 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -144.26 125.0 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.954 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.657 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.5 ttp180 -76.16 39.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.659 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.5 t -60.12 168.67 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.349 -179.964 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.2 ptmt -123.12 120.37 33.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.47 98.42 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.493 ' CG1' HG12 ' A' ' 78' ' ' VAL . 6.7 m -101.5 -34.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -116.34 164.76 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.936 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.453 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 2.8 mp0 -150.13 -175.36 5.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.631 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.1 ttpt -153.27 113.48 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.501 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.7 tt0 -74.93 93.92 2.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.937 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.8 m -100.94 80.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.07 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.59 140.97 2.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.516 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.7 t -127.45 30.96 5.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.954 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.71 -170.26 6.45 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.547 1.154 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.6 m-80 -83.69 164.71 19.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.6 t0 -95.19 -161.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.886 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.505 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -80.9 -0.0 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -107.09 -1.17 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.59 -7.5 80.76 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.6 p-10 -79.97 154.06 75.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.99 129.18 12.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 41' ' ' LYS . 34.3 mt -73.0 -94.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.481 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 20.4 ttmt 71.18 121.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.653 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -125.04 68.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 -179.951 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -38.57 145.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.653 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 9.1 mm-40 -87.84 179.55 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.654 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -137.56 68.64 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.51 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.6 tt0 -63.34 69.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.659 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.5 pt -66.07 -167.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.65 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.5 ttpt -133.11 13.29 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.65 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.3 tp-100 40.75 109.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.472 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -118.08 -25.9 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -154.01 165.61 35.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.408 ' HG3' ' CG2' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -146.82 64.28 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 111.029 179.961 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CE2' ' CD2' ' A' ' 118' ' ' LEU . 15.8 m-85 -39.94 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.582 ' CD ' ' HB3' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -123.39 73.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.955 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.403 ' HA2' HG21 ' A' ' 17' ' ' VAL . . . -129.04 -157.44 9.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -171.95 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.425 1.75 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -92.73 -34.78 13.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 110.251 -179.996 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.71 -80.44 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.536 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t0 153.67 170.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.511 HG13 ' SD ' ' A' ' 96' ' ' MET . 1.3 mm -102.37 -74.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.554 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 75.05 -8.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.26 179.966 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -147.54 96.74 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.56 ' CD1' ' HE3' ' A' ' 96' ' ' MET . 0.3 OUTLIER -106.3 167.61 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.992 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.63 ' CE1' ' OE1' ' A' ' 44' ' ' GLN . 5.6 m-85 -118.52 150.52 39.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.654 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 4.9 t -165.1 -172.69 2.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.463 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.497 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -101.32 147.42 33.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.566 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.05 -160.25 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER 56.61 -171.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -68.87 54.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.96 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 56.08 96.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.95 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.5 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -103.16 -32.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.516 ' CB ' ' HA ' ' A' ' 1' ' ' CYS . 14.0 m -133.39 11.63 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 -179.965 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.587 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -151.95 -155.54 7.07 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.893 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.491 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 73.9 t -112.88 -3.76 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 0.8 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.511 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 35.56 84.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.982 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.635 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.81 128.75 53.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.571 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.55 -9.0 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.96 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.571 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 1.8 t 74.01 -18.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.561 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -72.8 -9.75 75.63 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.493 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -131.65 -31.25 0.51 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.554 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -96.95 -99.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.528 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 164.59 -68.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -157.84 163.23 38.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.782 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.8 p90 -147.14 151.79 37.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.683 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.42 2.72 31.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.167 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.782 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.95 99.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.754 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -125.39 106.35 9.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.408 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -140.68 172.51 23.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 3.1 tttm -45.79 -31.11 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.486 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . 82.43 179.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.587 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -131.08 -37.49 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 171.48 -132.39 2.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.13 134.93 54.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.94 1.89 75.08 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.574 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -173.16 139.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 0.778 . . . . 0.0 109.342 179.92 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.587 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -139.85 -160.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 -179.995 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.2 125.87 22.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.187 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.512 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.5 pt -139.66 139.98 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.516 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -138.62 165.15 27.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.132 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.587 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.2 pt? -58.51 -46.23 87.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 1.7 t -62.32 -32.6 73.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 108.327 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.426 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.0 t0 -73.99 165.49 25.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.88 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.59 116.39 10.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 111.063 179.999 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.516 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.0 pt -163.36 134.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -154.05 157.15 32.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.589 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.6 Cg_endo -74.94 10.47 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.657 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 1.8 t90 72.24 -59.77 0.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 107.977 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.5 ' O ' ' CG2' ' A' ' 109' ' ' THR . 67.2 t0 -68.33 51.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.671 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.4 p -158.72 -56.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.671 ' C ' ' O ' ' A' ' 109' ' ' THR . 72.0 mt 13.31 -106.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.66 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 145.54 -41.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.11 -63.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.392 179.935 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.625 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 16.7 m -51.54 -23.19 3.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.183 . . . . 0.0 110.454 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.712 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -85.97 -37.96 18.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 110.346 -179.979 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.493 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.3 OUTLIER -65.95 -42.11 90.41 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.625 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -60.11 -21.27 61.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.937 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.648 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.54 -12.24 35.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.055 179.982 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.527 ' CD2' ' CE2' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -85.43 -5.35 59.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.922 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.542 ' C ' ' OD1' ' A' ' 119' ' ' ASN . 0.1 OUTLIER -74.06 -57.21 4.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.73 ' CG ' ' HG2' ' A' ' 124' ' ' MET . 0.2 OUTLIER -67.45 -107.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.615 180.0 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.582 ' HB3' ' CD ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -147.81 -81.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.25 -179.997 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.474 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 29.0 p90 -134.79 8.16 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 111.011 -179.904 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.0 OUTLIER -157.8 73.57 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.73 ' HG2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -67.22 53.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 179.997 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 40.16 26.54 0.11 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 179.949 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 124' ' ' MET . 0.6 OUTLIER -65.13 -166.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.985 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.43 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 36.6 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.64 ' O ' ' CB ' ' A' ' 2' ' ' SER . 34.7 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 4.2 p 146.53 -12.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.937 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -44.68 165.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 108.272 179.988 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -99.86 115.14 65.82 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 89.03 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.529 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.1 p -112.81 -132.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.7 OUTLIER 35.83 82.82 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.581 179.966 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.434 ' HB2' ' NE2' ' A' ' 114' ' ' GLN . 18.1 Cg_endo -75.03 8.63 2.34 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.9 OUTLIER -142.0 -45.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.629 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -61.68 -8.59 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.599 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -81.67 -34.04 30.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -91.01 6.73 43.63 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.463 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 2.8 m -116.57 -10.18 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.968 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.629 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -103.4 -38.79 7.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.633 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -52.82 167.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -149.27 15.39 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.586 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 12.2 p -164.96 82.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.543 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.08 120.52 45.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.544 HG13 ' CG2' ' A' ' 21' ' ' THR . 1.8 pt -145.45 125.09 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.572 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 2.6 ttm180 -77.49 41.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.954 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.624 HG22 ' CE1' ' A' ' 84' ' ' TYR . 1.4 t -64.32 173.05 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 11.7 ptmt -125.06 119.43 28.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -95.37 101.02 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.499 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 17.0 m -106.94 -35.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.3 t -111.78 159.23 18.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 110.016 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.0 mp0 -146.76 -179.13 6.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.686 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.3 ttpt -148.24 116.12 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 15.4 tt0 -76.04 98.23 4.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.426 HG23 ' NE2' ' A' ' 44' ' ' GLN . 30.8 m -113.11 103.55 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.941 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.25 156.49 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.431 ' OG ' HG22 ' A' ' 40' ' ' ILE . 1.5 t -138.2 15.5 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.13 179.75 50.76 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.498 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.4 m120 -83.44 162.3 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.79 . . . . 0.0 109.378 179.93 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.7 t0 -94.69 -161.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.52 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.7 mp -80.19 1.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.39 -1.22 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.37 -8.55 76.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.571 1.169 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.498 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.1 p-10 -79.21 153.57 76.99 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 130.26 13.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.431 HG22 ' OG ' ' A' ' 31' ' ' SER . 87.0 mt -69.06 -82.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HG2' ' HG3' ' A' ' 67' ' ' PRO . 15.2 ttmm 70.98 128.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.63 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -133.24 65.6 1.58 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.596 1.185 . . . . 0.0 110.284 -179.962 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.456 HG13 ' HA ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -36.63 151.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.686 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.4 mm-40 -92.02 177.61 6.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.923 ' HH ' ' N ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -134.65 67.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 -179.965 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.542 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 8.6 tt0 -63.12 69.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.292 -179.924 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.604 HD11 ' CG2' ' A' ' 21' ' ' THR . 2.3 pt -66.77 -171.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.4 OUTLIER -125.83 0.27 7.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER 52.01 114.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.476 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -124.6 -31.15 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -147.93 161.57 41.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -145.23 71.28 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.943 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE2' ' CD1' ' A' ' 118' ' ' LEU . 21.8 m-85 -42.78 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.586 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -126.83 73.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.52 -159.07 9.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.442 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.0 Cg_endo -75.05 179.45 6.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.54 -34.54 35.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 -179.968 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.11 -80.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.8 t70 153.68 171.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.962 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.491 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.6 mm -97.24 -72.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.57 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.09 -8.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.959 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.542 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -148.03 99.0 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.525 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -106.31 170.21 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.593 ' CE2' ' OE1' ' A' ' 44' ' ' GLN . 6.0 m-85 -124.54 147.67 48.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.645 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 10.1 t -164.98 -164.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.485 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -99.81 155.04 36.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.511 ' HG3' ' HG2' ' A' ' 41' ' ' LYS . 18.5 Cg_endo -74.98 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.541 1.811 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.61 -176.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.608 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 41.6 t -46.33 -41.99 14.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.608 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 155.24 114.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.613 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -118.62 -46.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.613 ' SG ' ' CG2' ' A' ' 71' ' ' VAL . 4.2 m -114.95 10.19 16.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.36 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.553 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -155.32 -153.47 6.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.486 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 93.6 t -116.31 -4.08 11.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.495 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 34.92 86.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.994 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.923 ' N ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -103.85 131.25 51.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.578 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -111.16 -10.09 14.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.578 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 1.1 t 75.79 -45.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -55.84 -9.66 2.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.484 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -122.37 -28.24 1.51 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.524 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -108.51 -96.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.634 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 167.81 -75.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.634 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 16.0 mp0 -154.48 154.79 33.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.794 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 1.9 p90 -134.49 154.27 51.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.69 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.33 3.21 36.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.794 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.42 99.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 -179.941 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.83 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -122.7 108.92 13.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.464 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -141.14 179.59 19.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.559 1.162 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.1 mtpp -54.24 -30.45 50.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 84.39 178.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.531 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.0 tp10 -137.37 -42.96 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.595 ' O ' ' O ' ' A' ' 95' ' ' LYS . . . 165.37 126.89 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.593 ' C ' ' O ' ' A' ' 92' ' ' GLY . 1.5 m-20 -24.84 134.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.451 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 86.05 -3.92 86.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.454 1.096 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.595 ' O ' ' O ' ' A' ' 92' ' ' GLY . 0.1 OUTLIER -176.54 140.83 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.531 ' HA ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -146.3 -170.01 3.4 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.568 1.167 . . . . 0.0 111.08 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.433 ' O ' HG21 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -128.15 128.21 44.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.608 179.972 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.503 ' CD1' HG13 ' A' ' 86' ' ' ILE . 2.1 pt -140.33 142.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.552 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -140.02 170.58 15.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.553 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.6 OUTLIER -65.21 -44.23 89.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.935 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -22.27 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.957 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -84.69 167.86 15.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.875 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -72.36 117.21 13.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.586 1.179 . . . . 0.0 110.989 -179.964 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.552 ' CD1' ' O ' ' A' ' 99' ' ' THR . 7.2 pt -163.13 134.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.498 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -156.04 156.88 30.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.641 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.03 12.1 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.558 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.8 t90 70.36 -61.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.456 ' O ' HG22 ' A' ' 109' ' ' THR . 15.4 t70 -69.49 51.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 179.955 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.3 p -157.36 -57.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 -179.937 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.679 ' C ' ' O ' ' A' ' 109' ' ' THR . 40.0 mt 9.87 -105.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.624 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.9 m 149.3 -42.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.024 -179.997 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.563 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.73 -67.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.427 1.079 . . . . 0.0 110.471 -179.99 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 1.4 m -49.68 -26.21 3.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.949 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.665 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -80.01 -37.11 34.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.512 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.7 OUTLIER -68.41 -46.68 69.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.983 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.474 ' O ' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -62.19 -17.32 57.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.567 ' HA ' ' CD2' ' A' ' 120' ' ' HIS . 0.1 OUTLIER -102.34 -21.45 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.05 179.935 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.609 ' CD1' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -90.91 -16.69 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 120' ' ' HIS . 46.9 p30 -73.93 -23.31 59.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 117' ' ' SER . 3.1 p80 -96.22 169.07 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.637 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.443 ' C ' ' HG2' ' A' ' 54' ' ' LYS . 1.2 mpt_? -37.16 -89.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.628 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 52.8 p90 -161.63 17.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.628 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 1.0 OUTLIER 164.17 53.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.569 1.168 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.534 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -71.78 53.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 179.986 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.83 25.67 61.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.127 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.418 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -58.81 -170.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.994 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.992 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -176.89 48.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 179.972 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.464 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 2.8 m -56.48 -163.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 179.961 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.3 p -141.0 114.86 7.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' CB ' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.05 73.35 4.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 8.2 p -83.31 -133.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.556 ' CB ' ' CG ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER 33.41 91.85 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.597 179.974 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HB2' ' NE2' ' A' ' 114' ' ' GLN . 18.5 Cg_endo -74.96 1.08 8.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 6.2 tp-100 -137.46 -41.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.556 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.29 -9.41 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.628 ' O ' ' CD2' ' A' ' 103' ' ' PHE . . . -82.79 -33.64 27.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.869 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -91.05 3.8 53.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.388 1.055 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 2.2 m -112.67 -10.96 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 108.253 -179.966 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.459 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -102.12 -41.78 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.731 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -52.68 173.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 88' ' ' GLY . 4.4 m-20 -153.17 16.75 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.403 1.064 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.555 ' HA ' ' O ' ' A' ' 54' ' ' LYS . 14.0 p -164.45 83.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.674 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -97.27 119.56 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.555 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.1 pt -146.6 124.06 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.62 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 13.6 ttp180 -76.1 41.33 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.619 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.5 t -62.42 170.2 2.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 110.435 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.9 ptmt -123.76 118.76 27.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.088 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -92.78 96.31 10.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.468 ' CG1' ' HE2' ' A' ' 22' ' ' LYS . 11.2 m -101.09 -34.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.507 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -115.53 163.78 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.8 mp0 -150.64 -179.18 7.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.624 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.7 ttpt -145.0 111.85 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.54 ' HA ' HD13 ' A' ' 43' ' ' ILE . 17.7 tt0 -73.26 94.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.437 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 23.2 m -111.59 122.69 66.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.249 -179.935 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.96 155.93 39.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 31' ' ' SER . 3.0 t -137.86 23.73 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' ILE . . . 76.41 -179.51 48.44 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.9 m-20 -84.5 163.89 19.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.9 t0 -96.12 -161.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.531 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -80.95 0.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -109.19 -0.22 19.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.34 -9.5 72.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -77.35 153.72 81.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.52 0.776 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.94 12.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.548 1.815 . . . . 0.0 110.969 -179.942 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' GLY . 55.9 mt -66.08 -86.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' N ' HG21 ' A' ' 40' ' ' ILE . 18.5 ttmm 74.55 128.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.994 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.694 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -131.18 65.36 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 110.257 -179.915 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.54 HD13 ' HA ' ' A' ' 28' ' ' GLU . 1.2 mp -35.77 142.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.694 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.7 mm-40 -84.59 178.01 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.885 ' HH ' ' N ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.58 68.22 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.4 tt0 -62.83 69.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.619 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.0 pt -65.79 -168.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.655 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -131.82 14.39 4.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.655 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.3 tp-100 38.14 107.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.202 179.915 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.53 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -116.93 -27.62 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.957 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' O ' ' HB ' ' A' ' 19' ' ' ILE . 1.8 tttt -150.7 165.16 34.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.2 ptp -146.21 66.44 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.561 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 17.0 m-85 -42.61 -79.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -124.37 73.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.08 -157.45 9.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.407 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -74.96 -173.99 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.12 -35.33 21.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -84.5 -78.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.363 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 153.94 171.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.496 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 1.5 mm -97.58 -71.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.543 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 3.1 mt-10 73.19 -8.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.538 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.0 m-85 -144.97 95.98 2.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.513 HD11 ' CG ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -102.22 167.0 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.643 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.7 m-85 -123.48 145.39 48.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 111.07 179.922 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.593 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 9.7 t -161.57 -167.54 1.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.438 179.981 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -103.8 150.94 38.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.527 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -159.94 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.051 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.56 -159.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.045 -179.981 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.542 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 28.4 t -82.06 29.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 86.85 96.46 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -102.52 -36.6 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 99' ' ' THR . 48.0 m -132.69 22.92 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 108.275 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.499 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -158.06 -159.08 9.35 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.529 ' O ' ' C ' ' A' ' 75' ' ' SER . 78.9 t -111.84 0.02 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.529 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.3 OUTLIER 28.2 81.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 180.0 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.885 ' N ' ' HH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -102.62 129.44 49.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.242 -179.915 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.567 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -106.43 -7.83 17.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.543 HG21 ' O ' ' A' ' 82' ' ' LYS . 2.5 t 69.83 -52.7 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.7 -15.62 0.16 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.489 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.35 -30.0 1.81 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.567 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -102.21 -94.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.564 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 168.99 -85.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.934 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.59 ' O ' ' O ' ' A' ' 106' ' ' PRO . 8.1 mp0 -151.12 149.82 29.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.789 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.0 p90 -127.04 154.12 45.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.697 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -85.23 5.41 30.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.943 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.789 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 8.4 102.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.759 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -125.36 109.71 13.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' ASP . . . -140.0 -178.15 16.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.076 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -60.24 -14.6 18.7 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.491 0.76 . . . . 0.0 109.267 -179.94 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.55 ' HA ' ' CB ' ' A' ' 96' ' ' MET . . . 71.13 -177.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.539 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 12.7 tp10 -128.95 -41.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.534 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.14 55.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.534 ' O ' ' O ' ' A' ' 92' ' ' GLY . 1.3 m-20 54.69 155.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.59 0.818 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 63.53 -4.08 1.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -179.71 143.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.55 ' CB ' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -147.41 -171.47 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.932 -179.977 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.62 128.04 44.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.543 -179.942 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.537 ' CD1' ' CG1' ' A' ' 86' ' ' ILE . 6.3 pt -138.43 137.9 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.543 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 5.0 p -139.42 163.17 33.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.397 179.936 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.525 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.1 OUTLIER -63.66 -22.54 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.33 -24.45 29.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.442 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.9 t0 -87.27 172.78 9.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.869 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -72.5 118.54 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.961 -179.965 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.543 ' CD1' ' O ' ' A' ' 99' ' ' THR . 5.9 pt -164.89 136.99 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.463 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -157.94 156.53 28.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.59 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.4 Cg_endo -75.03 9.98 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.62 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 2.0 t90 71.84 -58.28 0.59 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 108.051 -179.961 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.524 ' O ' ' CG2' ' A' ' 109' ' ' THR . 51.6 t0 -68.57 51.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 10.8 p -159.16 -51.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.932 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.708 ' C ' ' O ' ' A' ' 109' ' ' THR . 53.2 mt 5.88 -106.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.665 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.2 m 143.83 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 -179.944 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.611 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.88 -61.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.987 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.574 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.0 m -51.53 -23.71 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.719 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -87.46 -37.64 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.972 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.467 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 1.2 mtmt -67.31 -39.88 85.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.574 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.15 -14.08 33.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.591 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.86 -10.53 22.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 110.005 -179.988 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.561 HD23 ' CZ ' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -86.46 2.42 47.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.364 -179.981 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -78.07 -62.76 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -179.969 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.748 ' HB2' ' HG2' ' A' ' 124' ' ' MET . 10.5 m-70 -64.94 -97.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.645 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.56 ' CD ' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -160.83 -77.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 14.4 p90 -130.89 15.23 5.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 111.004 179.944 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.5 OUTLIER -170.9 75.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.232 179.952 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.748 ' HG2' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -67.19 53.64 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.929 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 48.24 21.03 1.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.922 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.6 OUTLIER -62.22 -167.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.959 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.405 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 71' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 163.72 62.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.932 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -95.29 158.71 15.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.296 180.0 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.42 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 95.0 p -90.07 125.45 60.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.456 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.0 Cg_endo -75.06 96.23 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.449 1.763 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.586 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 7.4 p -119.57 -132.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 38.45 82.01 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.59 -180.0 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 1.72 7.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.399 1.736 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.503 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.0 OUTLIER -135.94 -43.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.956 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.432 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -65.33 -6.37 9.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 103' ' ' PHE . . . -84.2 -34.22 23.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.893 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.7 OUTLIER -92.49 9.53 34.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 1.5 m -119.42 -10.1 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.075 . . . . 0.0 108.325 -179.959 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.413 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.6 OUTLIER -104.48 -40.02 6.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.721 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.35 173.74 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -152.88 16.71 0.57 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 12.0 p -165.82 84.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.588 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -97.9 116.72 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.922 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.548 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -142.18 126.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.652 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.8 mtm180 -78.36 38.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.593 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.6 t -60.72 171.96 1.04 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 16.1 ptmt -124.47 119.48 29.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' O ' HG22 ' A' ' 78' ' ' VAL . . . -94.6 99.05 11.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.6 m -103.49 -35.33 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.522 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.5 t -113.97 163.12 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.606 1.191 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -145.38 -174.1 4.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.96 119.05 5.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.496 ' CB ' HD13 ' A' ' 43' ' ' ILE . 17.3 tt0 -78.4 93.51 4.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 42' ' ' ARG . 12.2 m -102.75 99.69 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.527 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -49.7 147.56 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.517 ' OG ' ' CG2' ' A' ' 40' ' ' ILE . 1.2 t -133.86 16.12 3.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.29 -174.63 37.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.474 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.9 m-20 -83.7 165.19 19.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 0.786 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.2 t0 -95.63 -161.16 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.502 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -81.51 0.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -108.46 -1.19 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.2 -8.75 77.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.474 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.3 p-10 -78.58 154.96 78.83 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 129.26 12.11 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 -179.965 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.517 ' CG2' ' OG ' ' A' ' 31' ' ' SER . 48.1 mt -70.21 -83.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.542 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.21 122.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.588 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 3.2 ptt180 -130.87 71.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.414 1.071 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.496 HD13 ' CB ' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -43.57 149.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.0 mm-40 -89.45 -175.3 4.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.704 ' CE2' ' CG2' ' A' ' 65' ' ' THR . 0.2 OUTLIER -137.26 69.36 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.984 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.522 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.5 tt0 -62.7 68.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.609 ' CG2' ' OH ' ' A' ' 84' ' ' TYR . 3.1 pt -67.48 -175.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.377 179.931 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 49' ' ' GLN . 1.6 ttpt -119.39 -5.1 10.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.515 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 15.4 mm100 53.55 109.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -119.21 -33.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -144.92 160.72 40.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.489 ' O ' ' CG ' ' A' ' 52' ' ' MET . 2.0 ptt? -141.58 69.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.652 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -36.46 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 111.026 179.964 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 18' ' ' VAL . 3.7 tptt -128.1 73.85 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -122.89 -166.15 12.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.383 1.052 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.498 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.01 -172.29 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.88 -32.31 13.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.649 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -72.58 -77.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.397 1.06 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.649 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.7 t70 144.32 163.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 -179.906 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.498 HD12 ' CG ' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -105.22 -77.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.515 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 73.77 -7.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 110.284 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.565 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -143.99 98.85 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 179.992 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.533 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -103.85 172.44 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -122.93 156.04 35.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 111.059 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.704 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 4.9 t -176.63 -170.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.451 -179.949 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.506 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -88.16 155.48 52.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.542 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.6 Cg_endo -74.91 -60.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 111.044 179.952 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.534 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.5 OUTLIER -41.76 170.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.553 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 13.6 p -35.68 -40.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.553 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 159.43 89.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.534 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.7 OUTLIER -96.82 -38.84 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.585 ' O ' ' HA ' ' A' ' 99' ' ' THR . 15.3 m -129.55 25.39 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 108.211 -179.888 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.525 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -165.21 -158.15 10.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.088 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.511 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 64.3 t -114.97 -11.92 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.526 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 38.23 80.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.634 HD12 ' CD2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.47 131.04 49.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.506 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.6 p30 -104.17 -7.75 19.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 23' ' ' ALA . 3.3 t 70.13 -52.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.84 -11.95 0.4 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -120.25 -23.65 2.88 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -110.66 -92.0 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 109.366 179.913 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 168.33 -86.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.57 ' O ' ' O ' ' A' ' 106' ' ' PRO . 8.0 mp0 -150.96 147.33 27.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.808 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 1.8 p90 -124.64 154.88 40.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.699 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -84.67 4.19 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.933 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.808 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.08 102.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.721 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -128.48 108.98 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.427 ' O ' HG11 ' A' ' 17' ' ' VAL . . . -143.11 174.04 23.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -44.19 -34.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.78 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.547 ' HA ' ' HB2' ' A' ' 96' ' ' MET . . . 81.16 176.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.521 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.1 tp10 -134.31 5.3 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.24 -119.31 2.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.92 142.88 49.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 77.4 -1.49 65.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.83 137.99 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 109.329 -179.971 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.547 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -142.81 -168.82 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.909 -179.964 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.85 130.83 45.75 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 0.0 109.551 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 64' ' ' TYR . 14.1 pt -142.27 137.2 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.585 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -135.3 160.96 36.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 110.466 179.995 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.525 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 1.4 pt? -54.83 -49.02 72.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 6.7 t -60.77 -31.32 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 108.324 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.458 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.6 t0 -73.9 166.99 22.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.893 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -70.83 118.07 13.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 179.983 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.512 ' CD1' ' O ' ' A' ' 99' ' ' THR . 4.0 pt -165.66 135.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.526 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -156.44 155.82 29.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.58 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.0 11.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.573 1.828 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.643 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 11.0 t90 71.02 -59.09 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.509 ' O ' ' CG2' ' A' ' 109' ' ' THR . 21.2 t0 -68.81 51.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.684 ' O ' ' C ' ' A' ' 110' ' ' LEU . 6.5 p -159.19 -54.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.684 ' C ' ' O ' ' A' ' 109' ' ' THR . 49.2 mt 8.66 -107.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.9 m 145.94 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.613 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.68 -64.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.17 . . . . 0.0 110.433 179.989 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.526 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 18.4 m -48.15 -22.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.703 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -89.12 -36.15 15.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.965 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.551 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -68.27 -39.03 82.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.58 -24.91 66.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -88.84 -11.91 43.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.958 -179.943 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.645 ' CD2' ' CE2' ' A' ' 53' ' ' PHE . 10.8 mt -84.65 -0.4 53.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -73.93 -57.21 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.627 ' HB2' ' HG2' ' A' ' 124' ' ' MET . 0.3 OUTLIER -69.25 -109.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.581 -179.979 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.597 ' HG2' ' C ' ' A' ' 120' ' ' HIS . 0.2 OUTLIER -146.89 -72.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.217 -179.895 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.474 ' HB3' ' CG ' ' A' ' 54' ' ' LYS . 14.6 p90 -137.19 8.23 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.3 OUTLIER -159.73 71.37 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.368 179.983 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.627 ' HG2' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -66.89 55.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 111.058 179.987 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 39.88 26.73 0.1 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.904 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 124' ' ' MET . 0.5 OUTLIER -62.83 -170.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.953 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.989 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.742 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 62.6 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 45.31 22.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 101' ' ' CYS . 1.6 m -64.89 174.02 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.7 p -121.34 107.2 37.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 179.982 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 126.82 10.17 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.545 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 9.9 p -153.77 -134.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.545 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.4 OUTLIER 32.28 85.38 0.15 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.075 . . . . 0.0 109.599 179.985 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.46 4.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.567 1.825 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' OE1' ' HE2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -137.83 -45.06 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -63.06 -7.21 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.601 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . . . -82.86 -33.2 27.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.877 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -92.58 7.84 41.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.967 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 1.8 m -117.9 -8.66 10.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 108.271 179.98 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.447 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -105.45 -39.22 6.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.943 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.767 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -53.77 171.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -151.43 16.52 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.594 HG13 ' CB ' ' A' ' 90' ' ' ALA . 11.2 p -164.95 84.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.674 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -98.05 119.27 45.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.955 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.539 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -145.74 125.46 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.245 -179.992 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.674 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.0 mtp180 -77.58 41.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 110.351 179.958 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.63 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.3 t -63.35 169.93 3.35 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.96 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 15.1 ptmt -124.02 120.64 33.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -94.11 105.38 17.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.501 ' CG1' ' CG1' ' A' ' 78' ' ' VAL . 3.8 m -108.89 -37.45 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.52 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -111.83 164.29 13.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.9 mp0 -149.84 -177.98 6.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.9 ttpt -148.52 111.94 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HA ' HD13 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -74.37 93.52 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 32.6 m -109.0 101.84 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.63 151.28 14.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.9 t -132.8 24.01 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.44 -177.07 40.83 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.2 m-80 -84.67 163.51 19.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.376 0.692 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.7 t0 -95.11 -161.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.505 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.8 mp -81.2 -0.46 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.228 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -107.18 -1.37 21.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.09 -8.65 77.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.43 1.081 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -78.14 152.37 79.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 0.793 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.21 11.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.449 HG23 ' OG ' ' A' ' 31' ' ' SER . 24.4 mt -66.75 -89.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 20.6 ttmm 73.02 126.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.67 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -129.96 66.44 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.984 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.535 HD13 ' HA ' ' A' ' 28' ' ' GLU . 1.1 mp -37.2 143.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.67 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.9 mm-40 -85.22 178.82 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.205 -179.883 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.552 ' O ' ' N ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -136.23 67.68 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.063 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.52 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.5 tt0 -62.51 69.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.605 HD11 ' CG2' ' A' ' 21' ' ' THR . 3.4 pt -67.56 -174.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 49' ' ' GLN . 10.0 ttpt -120.58 -3.78 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.494 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 14.2 mm100 52.95 111.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 179.94 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.433 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -119.5 -33.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.544 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -144.87 162.27 37.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -142.36 66.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.954 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.672 ' CE2' ' CD2' ' A' ' 118' ' ' LEU . 1.1 m-85 -35.0 -80.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.566 ' C ' ' HD2' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -127.93 73.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.21 -161.35 11.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.98 -179.943 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.445 ' CG ' HD12 ' A' ' 60' ' ' ILE . 18.5 Cg_endo -74.96 -173.56 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.558 1.82 . . . . 0.0 110.999 179.947 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -91.74 -33.37 15.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.597 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.53 -85.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.944 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.597 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.5 t70 158.53 166.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.489 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.7 OUTLIER -106.69 -80.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.237 -179.997 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.2 mt-10 72.85 -8.18 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.544 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -141.85 91.58 2.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.551 HD11 ' SD ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -99.86 172.07 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.643 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 8.8 m-85 -123.76 157.99 32.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.547 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 5.8 t -172.26 -168.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.505 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -105.1 150.8 39.2 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.503 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.02 -159.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 55.9 -170.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 0.0 109.969 179.991 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.9 p -69.33 54.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 56.12 100.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.505 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -109.13 -38.69 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.742 ' HA ' ' N ' ' A' ' 1' ' ' CYS . 19.9 m -124.69 18.87 8.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.986 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.485 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -158.81 -158.09 8.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.522 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 21.9 t -111.37 2.3 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.509 ' C ' ' O ' ' A' ' 74' ' ' VAL . 86.3 p 29.91 84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.061 -179.954 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.62 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.59 133.89 49.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.483 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -123.38 0.24 8.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.56 -54.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.173 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.64 -12.44 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -118.77 -32.14 1.35 Allowed Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.527 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -108.4 -94.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 0.765 . . . . 0.0 109.375 179.91 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.52 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.25 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.532 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -154.94 162.73 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.8 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 2.5 p90 -147.72 152.29 37.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.696 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -83.33 4.07 28.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.8 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.77 100.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.398 -179.958 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.767 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -125.24 107.3 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.238 -179.906 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' LYS . . . -143.35 168.35 26.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.574 1.171 . . . . 0.0 110.961 179.942 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.8 tttm -39.41 -34.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.594 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . 84.31 175.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.547 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 10.5 tp10 -131.53 1.56 4.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.84 -123.2 3.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.75 142.69 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.476 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 80.43 -6.8 59.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -173.11 145.53 1.35 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.551 ' SD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.24 -169.75 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.981 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.69 131.11 51.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 -179.972 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.512 ' CD1' HG13 ' A' ' 86' ' ' ILE . 12.3 pt -141.57 136.11 31.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.557 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 5.5 p -135.18 159.07 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.608 ' CD2' ' H ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER -59.5 -25.93 64.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -78.54 -33.93 47.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.997 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.431 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.0 t0 -76.69 171.67 14.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.877 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -71.76 119.17 15.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.939 -179.972 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.557 ' CD1' ' O ' ' A' ' 99' ' ' THR . 4.2 pt -165.43 136.81 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.516 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -156.88 156.79 30.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.951 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.634 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.98 11.44 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.674 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 14.4 t90 71.62 -61.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 107.981 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.499 ' O ' HG22 ' A' ' 109' ' ' THR . 24.7 t0 -69.74 52.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.695 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.9 p -158.83 -52.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.695 ' C ' ' O ' ' A' ' 109' ' ' THR . 45.7 mt 5.77 -106.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.889 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.645 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 147.03 -42.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 159.88 -63.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.925 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.509 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 21.2 m -50.16 -21.53 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.715 ' CG ' ' CE1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.1 -36.05 15.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.52 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -68.75 -39.83 80.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.509 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.62 -20.45 63.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.55 -11.14 32.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.038 -179.995 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.672 ' CD2' ' CE2' ' A' ' 53' ' ' PHE . 3.8 mt -88.15 1.17 54.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -73.96 -47.57 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.668 ' C ' ' HG2' ' A' ' 121' ' ' ARG . 8.1 m170 -79.18 -108.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.541 -179.926 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.668 ' HG2' ' C ' ' A' ' 120' ' ' HIS . 2.9 mtt-85 -148.45 -70.79 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.467 1.105 . . . . 0.0 110.259 179.978 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.455 ' HB3' ' CG ' ' A' ' 54' ' ' LYS . 39.0 p90 -136.92 8.73 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.5 OUTLIER -162.05 72.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.938 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.602 ' HG2' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -66.99 55.53 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.967 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 41.8 25.93 0.25 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.428 ' N ' ' C ' ' A' ' 124' ' ' MET . 0.5 OUTLIER -65.3 -171.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.985 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 . . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER 162.34 43.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 0.0 109.992 179.978 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -176.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.8 p -132.71 127.94 20.66 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.411 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.0 Cg_endo -75.06 109.02 2.85 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.468 1.772 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.497 ' CG1' ' N ' ' A' ' 7' ' ' HIS . 8.7 p -129.42 -134.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.604 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 33.98 91.01 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.606 179.959 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.458 ' CB ' ' NE2' ' A' ' 114' ' ' GLN . 18.1 Cg_endo -74.99 -7.81 19.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.646 ' NE2' ' HE3' ' A' ' 116' ' ' LYS . 1.5 tt0 -134.91 -44.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.7 mt-30 -58.06 -11.53 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 7' ' ' HIS . . . -82.38 -36.53 26.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.886 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -87.01 -2.73 58.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.929 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.3 m -106.44 -15.52 14.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.248 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.65 -38.73 10.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.992 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.696 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . -54.65 170.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 88' ' ' GLY . 15.5 m-20 -152.84 17.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.489 HG11 ' O ' ' A' ' 88' ' ' GLY . 7.1 p -166.3 81.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.592 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.48 120.62 44.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.525 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.8 OUTLIER -143.76 127.62 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.71 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 23.1 mtp180 -77.74 36.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.66 ' CG2' HD11 ' A' ' 47' ' ' ILE . 2.7 t -58.8 168.7 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.4 ptmt -126.43 118.91 25.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . . . -90.55 104.12 16.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.545 ' CG1' HG12 ' A' ' 78' ' ' VAL . 2.4 m -106.16 -34.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.923 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.568 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.3 t -109.36 169.95 8.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 110.057 179.908 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.527 ' HG3' ' CG2' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -154.61 151.38 28.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.253 -179.989 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.712 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.5 ttpt -124.46 105.26 9.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 2.1 tt0 -72.6 92.41 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.936 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.427 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 32.7 m -106.03 126.13 61.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.66 161.06 30.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.457 ' OG ' HG23 ' A' ' 40' ' ' ILE . 6.9 t -145.28 17.68 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.92 177.48 49.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.589 1.18 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.478 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.7 m120 -84.25 162.57 20.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.3 t0 -93.97 -162.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.526 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 2.6 mp -80.54 0.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -108.16 -1.16 20.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.7 -8.76 76.49 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.5 p-10 -78.83 153.22 77.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 129.57 12.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.457 HG23 ' OG ' ' A' ' 31' ' ' SER . 43.3 mt -63.8 -80.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.659 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 10.7 tppt? 70.62 124.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.643 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.38 64.41 1.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.527 ' CG2' ' HG3' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -35.13 144.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.712 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mm-40 -89.34 -179.95 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.623 ' CZ ' ' CG2' ' A' ' 65' ' ' THR . 0.6 OUTLIER -136.49 69.43 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.568 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.1 tt0 -64.74 68.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.917 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.66 HD11 ' CG2' ' A' ' 21' ' ' THR . 1.4 pt -64.82 -171.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -124.51 1.91 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.383 179.953 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.501 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 53.17 113.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.408 HD11 ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -121.91 -33.34 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.511 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -151.98 166.0 32.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.935 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.82 72.07 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.71 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 2.5 m-85 -43.79 -72.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -131.65 160.82 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.462 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 130.65 -139.65 11.12 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.14 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.52 ' CB ' ' CG ' ' A' ' 93' ' ' ASP . 18.5 Cg_endo -74.96 -165.17 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.454 1.765 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -108.25 -34.53 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.65 -85.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.9 t70 160.22 163.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.643 HG13 ' SD ' ' A' ' 96' ' ' MET . 0.5 OUTLIER -120.21 72.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.47 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -71.52 -4.56 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 5.6 m-85 -134.42 91.58 2.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 179.939 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.611 HG21 ' HG3' ' A' ' 96' ' ' MET . 0.5 OUTLIER -97.81 169.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 7.8 m-85 -123.64 154.44 39.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.623 ' CG2' ' CZ ' ' A' ' 45' ' ' TYR . 9.7 t -168.55 -161.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.485 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -107.84 152.74 41.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.659 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.1 Cg_endo -75.04 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.454 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.3 OUTLIER 63.26 -162.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 179.987 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 30.4 t -82.4 33.88 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . 86.58 90.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.351 -179.943 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.485 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -101.54 -28.71 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 99' ' ' THR . 10.8 m -138.29 16.49 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.525 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -153.76 -151.88 5.89 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.511 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 82.9 t -118.62 -0.76 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 74' ' ' VAL . 84.2 p 31.67 87.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 179.949 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.641 HD12 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -106.32 130.99 54.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.567 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -119.41 -8.1 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.383 179.938 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.567 ' HB ' ' O ' ' A' ' 77' ' ' ASP . 1.6 t 74.02 -15.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.53 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -77.39 -9.97 86.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.481 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -130.33 -33.4 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -97.01 -101.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.509 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.63 -71.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.516 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -153.98 159.04 41.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.814 ' CD1' ' HB ' ' A' ' 86' ' ' ILE . 4.4 p90 -144.35 151.51 39.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.692 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.73 3.01 30.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.21 -179.907 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.814 ' HB ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.64 105.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.957 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.766 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . . . -129.4 112.39 13.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 16' ' ' ASP . . . -140.07 179.2 19.2 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.414 1.071 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 13.4 tttt -57.21 -28.28 62.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 0.821 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.557 ' HA ' ' CB ' ' A' ' 96' ' ' MET . . . 86.65 173.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.573 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 4.5 tt0 -122.14 -39.26 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.227 -179.946 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.14 52.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.159 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.604 ' C ' ' H ' ' A' ' 95' ' ' LYS . 1.5 t0 56.34 157.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.486 ' C ' ' HG3' ' A' ' 95' ' ' LYS . . . 66.83 -14.7 0.37 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.565 1.166 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.604 ' H ' ' C ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -174.14 139.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.609 0.829 . . . . 0.0 109.246 -179.924 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.643 ' SD ' HG13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -140.29 -172.27 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.939 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 120.64 32.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.937 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.529 ' CD1' HG13 ' A' ' 86' ' ' ILE . 4.9 pt -131.8 132.61 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.525 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -132.73 163.9 27.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.525 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.6 OUTLIER -55.98 -43.85 77.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.432 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -64.47 -33.23 75.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 108.295 -179.946 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.457 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 2.8 t70 -73.97 168.3 19.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.886 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -72.18 116.03 12.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.519 ' CD1' ' O ' ' A' ' 99' ' ' THR . 5.6 pt -162.96 132.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.522 ' O ' ' CB ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -154.69 158.79 32.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.647 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 12.14 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.794 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.476 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 19.4 t90 70.57 -62.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.058 -179.928 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 106' ' ' PRO . 31.0 t0 -70.6 52.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -156.03 -55.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.975 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.682 ' C ' ' O ' ' A' ' 109' ' ' THR . 43.8 mt 8.95 -106.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.31 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.937 179.994 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.627 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 157.11 -60.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 -179.962 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.643 ' CG2' ' HE2' ' A' ' 116' ' ' LYS . 23.0 m -54.52 -25.88 28.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.452 -179.965 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.708 HE21 ' N ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -82.15 -34.97 28.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.938 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.506 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.5 OUTLIER -70.13 -45.3 67.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.646 ' HE3' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.35 -9.87 13.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.515 ' HB3' ' HB2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -107.7 -26.35 10.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.633 HD13 ' CE1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -79.59 -20.32 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.94 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.592 ' C ' ' OD1' ' A' ' 119' ' ' ASN . 4.7 p30 -84.64 -19.59 32.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.571 ' CG ' ' CB ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -88.37 42.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.586 179.944 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 65.46 -96.43 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.661 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 25.5 p90 -151.35 10.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.936 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.661 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 1.2 tt0 157.81 52.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.263 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.571 ' CB ' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -71.59 54.26 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 111.044 179.983 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 126' ' ' CYS . . . 58.15 25.45 57.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.511 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -55.84 -169.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.951 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.091 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.445 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -119.57 109.54 38.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.414 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.98 131.37 14.24 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.751 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.2 p -155.05 -133.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.751 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.1 p80 37.75 85.58 0.15 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.619 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 2.53 6.51 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.421 1.748 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.582 HE22 ' HD3' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -139.72 -44.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.6 mt-30 -63.87 -5.24 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.795 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.03 -37.64 23.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.882 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.8 m-85 -87.01 -4.74 59.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -103.55 -15.12 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.338 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.28 -41.65 8.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.544 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.92 174.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.44 15.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.826 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 4.3 p -166.46 86.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.09 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.4 t -97.15 117.29 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.589 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -141.43 125.13 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.733 ' HD2' HD11 ' A' ' 50' ' ' ILE . 3.5 ttm180 -78.15 41.46 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.873 HG21 HD12 ' A' ' 47' ' ' ILE . 1.3 t -64.56 171.9 2.99 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HG2' HG22 ' A' ' 50' ' ' ILE . 16.3 ptmt -126.12 120.08 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.878 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -90.89 108.1 19.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.8 ' CG1' HG11 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -110.08 -36.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -115.74 165.02 13.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.041 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.1 mp0 -149.44 -176.42 5.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.4 ttpt -149.7 111.88 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.577 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 3.0 tt0 -74.09 92.08 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.518 HG13 ' HG2' ' A' ' 27' ' ' LYS . 34.0 m -107.68 114.8 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.54 ' N ' ' HZ3' ' A' ' 41' ' ' LYS . 1.6 m-20 -56.76 160.13 3.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.619 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -144.05 16.77 1.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 78.12 177.64 48.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.052 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.499 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m120 -85.0 162.56 19.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.37 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.2 t0 -93.69 -161.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.776 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.63 0.64 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.61 -0.61 20.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.58 -8.36 77.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.499 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.33 152.69 78.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.99 130.27 13.13 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.458 1.767 . . . . 0.0 111.039 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.619 HG21 ' OG ' ' A' ' 31' ' ' SER . 64.3 mt -66.43 -79.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.577 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.1 tppt? 69.52 126.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.515 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -131.41 67.52 1.51 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.993 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -39.14 140.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.774 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 5.5 mm100 -82.24 -179.76 7.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.363 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.925 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.44 69.12 1.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.945 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.51 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.9 tt0 -64.43 67.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.404 1.065 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.93 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.6 pt -64.61 -174.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 8.5 ttpt -120.47 -5.2 9.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER 56.7 113.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.733 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -123.23 -30.47 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -149.46 160.85 43.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.402 ' HA ' HG22 ' A' ' 19' ' ' ILE . 10.7 ptt? -145.8 70.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 20' ' ' ARG . 37.9 m-85 -44.73 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.651 ' HB3' HG23 ' A' ' 18' ' ' VAL . 9.7 tptt -124.68 158.96 31.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.477 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 129.04 -143.36 14.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.429 1.081 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.546 ' HG3' HD11 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -74.98 -171.17 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -99.49 -33.7 10.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 110.244 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -72.84 -84.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.1 t70 153.61 165.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.378 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.93 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -117.7 74.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.49 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -66.94 -8.93 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.9 m-85 -131.35 91.96 3.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.061 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -96.09 168.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.774 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 7.4 m-85 -122.08 145.78 47.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.856 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.6 t -162.69 -168.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -99.06 154.66 37.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.993 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.02 -161.01 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.549 1.815 . . . . 0.0 111.061 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.3 -169.84 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 110.066 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.757 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 1.9 t -56.19 -36.72 68.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.943 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 151.88 103.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.401 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -105.67 -39.06 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.818 ' O ' HG22 ' A' ' 99' ' ' THR . 15.4 m -132.35 26.75 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.324 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.622 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -162.21 -158.19 9.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.91 HG23 HD12 ' A' ' 104' ' ' ILE . 84.4 t -116.08 -1.41 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER 32.39 84.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 110.041 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.126 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.91 133.37 49.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -121.09 1.8 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.005 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.1 t 71.36 -55.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.403 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -56.84 -10.61 4.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.443 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.44 -18.43 4.5 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.504 ' O ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -125.65 -94.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.005 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.17 -85.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.581 ' O ' ' O ' ' A' ' 106' ' ' PRO . 6.5 mp0 -145.75 156.42 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.145 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.8 p90 -141.63 151.86 43.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.764 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.42 3.39 28.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.145 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.94 105.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.09 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -132.33 112.45 12.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.514 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.43 172.58 26.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.27 -29.01 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.826 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 79.26 176.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.528 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.3 tp10 -137.02 9.91 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.95 -120.58 3.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.443 1.089 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.19 143.05 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.541 ' H ' HD13 ' A' ' 60' ' ' ILE . . . 77.45 -3.67 58.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.589 1.181 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.826 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -172.43 139.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.899 ' CG ' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -144.32 -171.95 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 111.052 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.84 128.48 50.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.061 HD13 HG21 ' A' ' 63' ' ' ILE . 4.6 pt -141.71 133.86 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.818 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -137.36 165.32 26.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.376 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.489 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -60.14 -45.8 91.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.479 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -64.62 -15.86 61.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 108.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.455 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 11.0 t0 -93.38 171.26 9.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.058 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -72.69 116.05 12.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.91 HD12 HG23 ' A' ' 74' ' ' VAL . 6.5 pt -165.21 132.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.663 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.77 157.26 32.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.6 Cg_endo -74.94 5.32 4.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.048 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.608 ' CZ3' ' CZ ' ' A' ' 20' ' ' ARG . 5.1 t90 77.6 -57.33 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.593 ' O ' HG23 ' A' ' 109' ' ' THR . 22.7 t70 -70.03 51.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.683 ' O ' ' C ' ' A' ' 110' ' ' LEU . 17.3 p -158.89 -56.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.006 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.9 mt 10.63 -107.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 146.55 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.64 -65.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.367 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 50.8 m -49.8 -27.27 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.006 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.8 mp0 -83.19 -31.09 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.601 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -74.36 -42.18 59.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.582 ' HD3' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.55 -21.75 65.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.656 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.37 -14.01 29.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.57 HD22 ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -75.66 -23.94 56.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 30.1 m120 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.475 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 74.9 p -83.48 116.71 65.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.507 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.02 81.96 2.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.576 1.83 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.767 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.7 p -102.53 -133.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.767 ' N ' HG13 ' A' ' 6' ' ' VAL . 2.0 p80 40.55 85.15 0.17 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.567 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.8 8.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.543 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 1.1 tt0 -137.13 -46.97 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -57.53 -10.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.74 -34.48 30.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.883 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -90.43 4.75 50.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.958 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -113.22 -12.45 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.57 -38.57 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.64 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.19 169.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.195 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -150.85 16.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.73 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 12.1 p -165.95 82.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.992 HG13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -95.69 120.04 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.683 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.45 126.01 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.676 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 6.4 mtp180 -77.84 42.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.917 HG21 HD12 ' A' ' 47' ' ' ILE . 2.3 t -63.84 175.02 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.374 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.532 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.7 ptmt -128.1 120.16 26.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.852 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.79 104.03 15.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.898 HG12 HG11 ' A' ' 78' ' ' VAL . 3.5 m -107.64 -36.6 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -112.15 162.89 14.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 110.067 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.88 -174.89 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.642 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.8 ttpt -153.07 115.04 4.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.484 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 6.4 tt0 -75.92 91.1 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.544 HG13 ' HG2' ' A' ' 27' ' ' LYS . 23.3 m -102.46 105.85 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.449 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -52.9 151.32 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.603 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.5 t -137.33 22.18 2.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 109.955 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.96 -179.35 31.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.519 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.8 m-20 -84.26 164.39 19.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.74 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.21 -161.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.235 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.768 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.99 0.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -108.27 -0.2 20.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.99 -7.92 78.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -79.2 153.96 77.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.11 129.25 12.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.603 HG21 ' OG ' ' A' ' 31' ' ' SER . 50.7 mt -66.14 -81.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.649 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 11.1 tppt? 71.17 124.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.354 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.501 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.81 65.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.959 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.29 145.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.778 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.2 mm100 -86.57 -178.73 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.98 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.93 67.59 1.42 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 9.8 tt0 -63.02 68.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.917 HD12 HG21 ' A' ' 21' ' ' THR . 2.8 pt -65.24 -176.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.509 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.1 ttpt -122.24 -0.67 9.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.509 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.41 124.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.589 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -132.7 -32.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.396 1.06 . . . . 0.0 109.273 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.569 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -149.92 168.25 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.542 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -147.03 70.25 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.04 ' CE2' HD22 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -39.54 -76.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 110.99 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -130.03 66.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.4 -156.33 9.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.505 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.99 -174.4 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.54 1.811 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.43 -35.76 19.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -82.75 -79.09 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.9 t70 154.82 171.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.629 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.7 mm -96.71 -72.2 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER 74.53 -7.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.252 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.555 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.2 m-85 -147.85 98.97 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.077 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -108.5 169.46 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.359 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.778 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.2 m-85 -123.48 148.47 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.89 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.8 t -165.34 -167.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.708 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -98.08 154.59 37.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.959 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.05 -164.0 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 111.065 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.25 -169.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.756 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 24.2 p -54.11 -41.52 68.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 155.35 109.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.595 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -113.45 -42.11 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.815 ' HA ' HD22 ' A' ' 100' ' ' LEU . 17.8 m -122.26 12.31 10.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.739 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -154.84 -156.22 7.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.837 HG23 HD12 ' A' ' 104' ' ' ILE . 89.0 t -114.74 -3.96 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 35.86 85.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.09 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.71 131.4 50.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 109.264 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.513 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -116.0 -2.86 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.096 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 72.69 -54.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.14 -13.02 0.9 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.551 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.3 -31.36 1.7 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.551 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -109.01 -96.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.257 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.096 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.7 -83.66 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.58 ' O ' ' O ' ' A' ' 106' ' ' PRO . 3.3 mp0 -147.22 152.01 37.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.164 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -134.62 154.48 51.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.713 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.72 3.16 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.164 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.88 102.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.992 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -127.59 110.56 12.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.525 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.56 177.44 22.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.565 1.166 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.624 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -47.48 -31.58 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.73 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 78.6 174.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.3 tp10 -134.4 7.17 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.6 -120.48 3.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.45 146.19 52.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 73.22 0.61 53.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.629 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.84 143.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.697 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.96 -169.15 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 128.24 42.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.077 HD13 HG21 ' A' ' 63' ' ' ILE . 2.3 pt -140.04 142.34 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.513 ' OG1' ' HB2' ' A' ' 102' ' ' ASP . 0.7 OUTLIER -139.44 166.22 25.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.815 HD22 ' HA ' ' A' ' 72' ' ' CYS . 1.1 pt? -61.01 -50.3 73.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.536 ' H ' HD23 ' A' ' 100' ' ' LEU . 6.1 t -61.8 -16.47 50.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.513 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.3 t0 -88.46 167.74 13.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.964 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.68 113.2 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 111.022 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.837 HD12 HG23 ' A' ' 74' ' ' VAL . 7.4 pt -161.85 131.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.692 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -151.96 157.29 34.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.596 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.89 10.29 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.576 1.829 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.676 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 13.4 t90 71.94 -58.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.038 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.663 ' O ' HG23 ' A' ' 109' ' ' THR . 37.9 t70 -69.7 52.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.685 ' O ' ' C ' ' A' ' 110' ' ' LEU . 6.2 p -159.36 -55.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.022 HD22 ' HB3' ' A' ' 114' ' ' GLN . 47.4 mt 8.2 -107.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 147.87 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.052 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.605 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 159.36 -67.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 110.475 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.542 ' N ' HG22 ' A' ' 112' ' ' THR . 5.2 m -47.66 -26.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.022 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.6 mp0 -83.23 -32.65 26.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.962 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -72.71 -41.34 65.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.543 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.92 -18.55 64.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.3 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.613 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.14 -12.49 30.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.919 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.04 HD22 ' CE2' ' A' ' 53' ' ' PHE . 27.2 mt -75.46 -27.69 59.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.402 ' OD1' ' HA ' ' A' ' 116' ' ' LYS . 4.0 p-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.375 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.63 ' O ' HD11 ' A' ' 100' ' ' LEU . 7.7 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -104.06 112.21 65.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.049 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 125.86 9.64 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.465 1.771 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.723 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.4 p -151.05 -131.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.723 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 37.86 84.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.576 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.426 ' O ' HG22 ' A' ' 113' ' ' THR . 18.5 Cg_endo -74.91 0.87 8.33 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.565 HE22 ' HD3' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -137.46 -43.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.9 mt-30 -65.25 -4.96 5.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.789 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.31 -37.07 23.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.857 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.9 m-85 -87.97 2.19 52.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -111.55 -14.83 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 108.338 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.53 -39.82 8.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.565 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -55.07 172.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -150.23 14.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.851 HG21 ' SD ' ' A' ' 96' ' ' MET . 10.4 p -165.71 89.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.995 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -100.61 120.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.574 HD11 ' HE2' ' A' ' 96' ' ' MET . 1.0 OUTLIER -145.86 125.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.669 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.8 mtp180 -76.76 37.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.951 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.1 t -60.64 165.93 3.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.485 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 17.7 ptmt -120.8 120.32 35.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.84 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.34 103.53 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.705 ' CG1' HG11 ' A' ' 78' ' ' VAL . 3.5 m -107.31 -34.2 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.527 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -115.77 165.37 13.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -149.44 -174.01 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.338 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.688 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.9 ttpt -155.25 116.89 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 9.7 tt0 -77.56 92.37 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.534 HG13 ' HG2' ' A' ' 27' ' ' LYS . 22.5 m -103.89 119.31 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.87 158.55 15.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.636 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -145.3 19.25 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.957 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 74.7 177.72 39.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.1 m120 -84.73 163.07 19.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.246 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.3 t0 -94.29 -161.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.83 0.68 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -108.58 0.02 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.47 -8.51 74.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -78.54 153.35 78.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 129.85 12.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.539 1.81 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.636 HG21 ' OG ' ' A' ' 31' ' ' SER . 42.9 mt -65.41 -78.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.664 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.3 tppt? 69.47 125.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.504 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -130.67 65.74 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.89 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -35.28 150.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.79 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.9 mm100 -92.49 178.96 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.902 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.06 69.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 13.5 tt0 -63.48 67.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.951 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -65.94 -173.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.615 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.7 ttmt -122.81 9.57 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.615 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.0 mm100 37.4 103.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.485 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -112.75 -32.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.543 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -145.23 163.6 33.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 52' ' ' MET . 2.1 ptp -144.17 69.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.023 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -36.34 -79.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.952 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.643 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -127.89 73.72 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.01 -162.77 11.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.696 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.02 -175.44 2.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.87 -33.06 14.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.638 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -72.12 -78.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.638 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.2 t70 146.13 165.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.653 HG21 ' CG ' ' A' ' 96' ' ' MET . 0.8 OUTLIER -109.67 -79.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER 76.9 -10.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 1.5 m-85 -141.37 94.04 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.093 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.961 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -99.94 168.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.79 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.2 m-85 -120.7 149.25 42.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.834 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.3 t -163.73 -164.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.399 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.707 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.81 152.61 38.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.89 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.96 -160.05 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 61.78 -161.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.716 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 44.5 t -81.53 30.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 87.63 97.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.596 1.185 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.618 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -107.26 -36.0 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.707 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 8.4 m -124.62 8.8 8.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.617 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -149.55 -153.79 6.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.557 1.16 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.898 HG23 HD12 ' A' ' 104' ' ' ILE . 81.9 t -113.49 -0.6 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.676 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER 30.71 83.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.932 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.143 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.17 141.7 35.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -125.41 0.49 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.705 HG11 ' CG1' ' A' ' 24' ' ' VAL . 3.1 t 68.57 -56.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -49.36 -14.59 0.58 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.452 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -116.07 -24.23 3.96 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.08 -91.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.92 -59.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.4 OUTLIER -172.71 168.02 5.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.241 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.143 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.2 p90 -152.08 153.84 34.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.77 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.54 1.48 41.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.125 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.23 99.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.054 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.23 106.39 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.605 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -139.67 165.7 25.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.608 1.193 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.3 tttm -39.2 -31.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 83.86 179.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.572 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -133.26 -41.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 174.29 -141.44 5.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.577 1.173 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -106.96 129.23 54.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 0.764 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 84.99 -2.36 88.35 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.539 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -170.26 139.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.616 0.833 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.851 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -136.75 -157.66 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -143.05 125.62 15.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.973 HD12 HG13 ' A' ' 86' ' ' ILE . 2.0 pt -139.35 145.49 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.216 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.61 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.7 OUTLIER -141.32 164.42 30.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.63 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -59.89 -41.68 92.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.52 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -66.77 -31.29 71.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 108.3 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.492 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.3 t0 -74.68 167.89 20.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.054 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.1 117.25 12.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.898 HD12 HG23 ' A' ' 74' ' ' VAL . 6.1 pt -164.4 134.36 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.703 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.47 158.16 32.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.6 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.03 10.41 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.669 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 15.9 t90 72.26 -60.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 107.986 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.672 ' O ' HG23 ' A' ' 109' ' ' THR . 16.1 t0 -69.28 53.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.674 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.4 p -159.05 -56.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.977 HD22 ' HB3' ' A' ' 114' ' ' GLN . 55.3 mt 11.13 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.177 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 146.14 -40.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.38 -64.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.453 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 23.1 m -49.84 -27.07 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.977 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.8 mp0 -83.42 -33.66 25.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.618 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -72.67 -41.44 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.565 ' HD3' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.43 -20.28 64.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.643 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.37 -13.39 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.023 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 45.4 mt -71.05 -30.03 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 18.4 p30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.814 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -120.62 124.07 27.76 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.914 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -75.04 118.27 5.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.525 1.803 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.714 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.2 p -139.49 -132.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.714 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 35.89 88.45 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' HG22 ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.02 -5.33 16.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.543 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -134.91 -42.61 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.348 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 5.1 mt-30 -63.49 -5.81 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.784 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.16 -38.07 22.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.863 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.8 m-85 -86.42 -2.67 58.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.64 -17.31 14.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.6 -37.94 10.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.565 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -57.23 174.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 88' ' ' GLY . 5.2 m-20 -157.1 16.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.871 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 6.3 p -165.69 80.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.363 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.948 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.2 118.75 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.598 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -144.21 123.69 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.625 ' NH1' ' CZ2' ' A' ' 107' ' ' TRP . 6.4 mtm180 -75.67 40.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.8 HG21 HD12 ' A' ' 47' ' ' ILE . 2.0 t -62.3 175.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.568 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.8 ptmt -129.54 120.04 24.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.601 1.188 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.781 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.28 98.6 11.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.403 1.064 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.769 HG12 HG11 ' A' ' 78' ' ' VAL . 3.0 m -99.24 -40.46 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.488 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.0 t -112.03 167.36 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.5 mp0 -148.38 -176.84 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -150.25 114.05 5.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.498 ' HG2' ' HZ2' ' A' ' 41' ' ' LYS . 7.1 tt0 -75.56 93.2 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.539 HG13 ' HG2' ' A' ' 27' ' ' LYS . 21.8 m -103.67 124.78 58.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.14 158.56 30.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.599 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.0 t -146.2 19.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 75.48 178.65 43.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.53 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.4 m-20 -83.98 162.7 20.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.14 -161.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.795 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.4 mp -80.6 0.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.75 0.3 20.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.168 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.3 -8.18 75.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.53 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.9 p-10 -79.34 155.11 76.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.539 0.788 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 129.69 12.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 31' ' ' SER . 54.6 mt -64.23 -79.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.632 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 13.3 tppt? 70.8 123.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.503 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -128.86 64.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.974 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -34.69 148.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.785 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.0 mm100 -92.02 -178.99 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.957 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.93 69.12 1.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.488 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.6 tt0 -62.08 71.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.8 HD12 HG21 ' A' ' 21' ' ' THR . 1.6 pt -67.15 -169.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -130.29 2.84 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.514 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 52.18 112.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.559 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -122.14 -27.88 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -155.68 166.74 32.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.475 ' HA ' HG22 ' A' ' 19' ' ' ILE . 4.8 ptm -146.12 71.85 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.03 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -41.72 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.37 66.19 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.6 -156.82 10.28 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.602 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.95 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.049 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -92.62 -35.5 13.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -80.89 -80.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 6.1 t0 155.64 170.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.375 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.647 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -101.02 -69.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.177 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.574 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.3 mt-10 71.81 -6.8 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.609 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -150.03 100.34 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.988 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -106.1 166.27 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.785 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 20.1 m-85 -118.01 149.84 40.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.796 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.0 t -165.5 -166.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.14 151.05 39.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.974 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.93 -158.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.476 1.777 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 54.18 -170.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.0 p -70.35 53.56 0.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.574 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 58.58 101.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.242 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.547 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -107.31 -35.1 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.677 ' O ' HG22 ' A' ' 99' ' ' THR . 68.3 m -131.02 17.21 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.352 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.574 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -153.06 -155.61 7.21 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.436 1.085 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.97 HG23 HD12 ' A' ' 104' ' ' ILE . 64.8 t -113.87 0.02 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 74' ' ' VAL . 28.9 p 30.61 81.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.937 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.099 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.02 133.2 48.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.377 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.565 ' C ' ' H ' ' A' ' 79' ' ' GLY . 0.1 OUTLIER -117.21 -10.42 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.034 HG22 ' O ' ' A' ' 82' ' ' LYS . 2.0 t 73.34 -15.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.565 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -76.95 -5.64 84.86 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.529 1.143 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.497 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -133.33 -31.99 0.4 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.557 ' HZ1' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -98.77 -100.87 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.781 . . . . 0.0 109.37 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.034 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 170.04 -75.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.579 ' O ' ' O ' ' A' ' 106' ' ' PRO . 16.4 mp0 -153.07 159.7 42.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.163 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -139.99 154.12 47.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.748 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.54 3.83 34.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.163 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.72 103.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.03 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.34 112.42 13.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.43 -177.83 20.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.603 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 5.6 mttt -52.58 -28.49 21.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.871 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 77.33 174.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.524 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.3 tp10 -134.3 6.73 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.85 -119.73 3.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -131.77 144.49 50.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.6 -2.92 61.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.647 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.69 147.29 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.723 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -149.86 -169.5 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.5 131.55 52.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.528 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.988 HD13 HG21 ' A' ' 63' ' ' ILE . 12.6 pt -144.49 137.38 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -138.45 161.22 37.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.431 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.814 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -56.15 -45.41 79.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -63.28 -32.15 73.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.475 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.6 t0 -75.14 169.23 18.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.271 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.03 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -71.9 117.27 13.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.97 HD12 HG23 ' A' ' 74' ' ' VAL . 4.9 pt -165.18 133.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.631 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.02 157.73 31.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.579 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.2 Cg_endo -75.02 8.61 2.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.625 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 13.5 t90 73.61 -58.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 107.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.639 ' O ' HG23 ' A' ' 109' ' ' THR . 12.1 t0 -69.82 51.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.3 p -158.82 -56.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.935 HD22 ' HB3' ' A' ' 114' ' ' GLN . 35.6 mt 9.18 -108.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.3 m 148.12 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.06 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.27 -66.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.515 ' N ' HG22 ' A' ' 112' ' ' THR . 3.5 m -48.91 -25.89 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.935 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.8 mp0 -84.14 -33.02 24.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -73.35 -41.5 63.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.543 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -61.85 -19.36 62.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.721 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.31 -5.16 50.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.997 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.03 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 55.4 mt -81.38 -27.66 34.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.1 p30 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.689 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.467 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 79.1 p -88.9 130.7 43.81 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 110.019 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.444 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.7 Cg_endo -74.87 85.77 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.617 1.851 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.734 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.9 p -104.26 -133.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.734 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.52 86.64 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.591 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.04 -20.9 16.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.569 1.826 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.564 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -120.42 -42.17 2.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.4 mt-30 -63.13 -5.32 3.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.758 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.74 -38.89 20.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.92 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -87.24 3.35 46.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.938 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.17 -15.56 13.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 108.249 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.56 -39.74 8.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.554 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.6 173.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -151.34 14.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.799 HG21 ' SD ' ' A' ' 96' ' ' MET . 11.0 p -165.75 89.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.015 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -100.57 116.11 43.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.561 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -141.63 125.8 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.595 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -77.73 42.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.916 HG21 HD12 ' A' ' 47' ' ' ILE . 2.5 t -64.81 175.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HG2' HG22 ' A' ' 50' ' ' ILE . 15.8 ptmt -128.93 120.62 26.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.816 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.26 108.25 19.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.815 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.4 m -111.95 -35.98 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -115.39 164.92 13.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.98 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.7 mp0 -149.8 179.6 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.0 ttpt -144.74 111.78 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.663 ' HG3' HD11 ' A' ' 43' ' ' ILE . 4.0 tt0 -74.04 92.35 2.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.51 HG13 ' HG2' ' A' ' 27' ' ' LYS . 30.0 m -108.78 112.3 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.518 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.1 m-20 -56.59 160.77 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.56 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.5 t -143.74 17.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.973 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.405 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 77.98 176.68 46.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.533 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.2 m120 -84.26 162.41 20.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.744 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -93.92 -161.64 0.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.761 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -80.56 0.4 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -107.91 -1.22 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.7 -8.39 77.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.533 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -78.19 151.71 78.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.556 0.797 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.97 129.06 12.01 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.56 HG21 ' OG ' ' A' ' 31' ' ' SER . 73.0 mt -65.57 -80.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.538 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 17.6 tppt? 68.87 126.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.503 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.49 68.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.957 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.51 141.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.636 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.2 mm100 -83.23 179.77 7.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.354 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.927 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.28 69.63 1.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.0 tt0 -63.62 68.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.916 HD12 HG21 ' A' ' 21' ' ' THR . 3.0 pt -65.26 -173.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.546 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.2 ttpt -125.22 1.52 7.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.546 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 54.94 125.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.622 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -134.32 -34.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.7 tttt -146.67 162.44 38.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 ptm -144.26 65.13 1.3 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.626 ' CE1' HD22 ' A' ' 118' ' ' LEU . 43.6 m-85 -41.82 -80.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -121.16 69.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.8 -160.24 10.24 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.617 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.95 -174.28 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.408 1.741 . . . . 0.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.77 -33.49 14.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -78.44 -80.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.2 t70 151.94 169.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.586 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.3 mm -102.38 -71.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.544 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.3 -8.24 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.608 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -149.36 97.49 2.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.002 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -103.56 170.11 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -120.87 146.48 46.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 111.032 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.789 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.2 t -161.71 -160.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.351 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.75 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -109.04 153.38 42.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.221 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.957 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.01 -158.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.445 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 59.71 -161.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.995 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.724 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 26.1 t -81.13 30.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.949 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 88.38 94.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.728 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -107.16 -28.13 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.819 ' O ' HG22 ' A' ' 99' ' ' THR . 4.5 m -133.99 12.03 3.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.596 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.63 -153.11 6.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.888 HG23 HD12 ' A' ' 104' ' ' ILE . 78.0 t -114.94 0.33 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 0.776 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 74' ' ' VAL . 32.7 p 33.36 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.122 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.45 135.68 45.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.501 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -124.83 0.46 8.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.055 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.5 t 71.83 -54.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.44 -10.58 2.11 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.438 ' C ' ' HD3' ' A' ' 81' ' ' LYS . . . -119.75 -25.83 2.49 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.493 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -117.23 -94.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.055 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.88 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.8 mp0 -146.78 160.6 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.143 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.1 p90 -146.69 153.43 40.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.802 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.64 2.72 32.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.143 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.94 100.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.045 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.76 108.29 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.513 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.36 172.27 23.92 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.63 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -45.1 -28.73 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 0.813 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 79.29 178.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.665 ' OE2' ' CD2' ' A' ' 97' ' ' HIS . 4.6 tp10 -132.51 -37.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.96 -135.69 3.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' N ' ' HE2' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -111.43 134.26 53.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.13 -5.89 69.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -168.84 144.11 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.746 . . . . 0.0 109.283 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.799 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -141.21 -158.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.665 ' CD2' ' OE2' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -138.99 124.84 19.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.546 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.002 HD13 HG21 ' A' ' 63' ' ' ILE . 1.9 pt -138.82 151.36 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.819 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -148.71 164.3 34.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 110.417 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.689 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER -59.65 -50.73 72.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.637 ' H ' HD23 ' A' ' 100' ' ' LEU . 5.7 t -61.15 -19.25 61.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 108.263 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.42 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 10.0 t0 -86.79 167.86 14.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.045 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.77 115.79 10.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.888 HD12 HG23 ' A' ' 74' ' ' VAL . 6.4 pt -165.09 132.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.654 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.72 156.56 32.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.56 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.13 5.36 4.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.563 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 3.1 t90 78.06 -57.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 107.976 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.599 ' O ' HG23 ' A' ' 109' ' ' THR . 25.9 t0 -69.9 50.65 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 18.1 p -159.08 -57.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.032 HD22 ' HB3' ' A' ' 114' ' ' GLN . 45.0 mt 11.84 -107.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.83 -41.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.589 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.63 -65.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 35.2 m -49.78 -26.41 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.032 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.7 mp0 -83.43 -33.08 25.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.633 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -73.25 -41.1 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.372 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.564 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.83 -20.28 65.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.64 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.89 -12.83 26.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.626 HD22 ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -75.1 -28.41 60.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.389 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 116' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.0 p -123.52 113.06 29.18 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 130.73 13.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.73 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.4 p -154.7 -133.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.73 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.4 p80 35.05 88.59 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.645 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 2.34 6.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.787 . . . . 0.0 110.996 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.537 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 64.9 tp60 -137.8 -42.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.515 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.61 -7.14 9.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.78 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.2 -32.54 26.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.87 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.4 m-85 -92.0 -3.1 56.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -105.01 -9.77 17.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 108.282 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -103.75 -41.33 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.579 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.51 173.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER -154.22 16.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.672 HG23 ' HD3' ' A' ' 56' ' ' PRO . 13.7 p -165.6 82.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.982 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -96.01 119.07 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.652 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -144.56 123.78 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.639 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.3 mtp180 -75.07 39.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.863 ' OG1' HD12 ' A' ' 47' ' ' ILE . 1.8 t -60.59 173.51 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.634 ' HG2' HG22 ' A' ' 50' ' ' ILE . 16.2 ptmt -129.18 118.8 22.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.805 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -90.43 103.43 16.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.716 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.2 m -104.72 -35.58 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.174 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.472 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.9 t -117.24 169.43 9.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.044 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.2 mp0 -150.65 -177.43 5.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.9 ttpt -148.79 110.59 4.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' CG ' ' HE3' ' A' ' 41' ' ' LYS . 8.1 tt0 -74.19 90.06 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.554 HG23 ' HG3' ' A' ' 42' ' ' ARG . 34.3 m -103.23 125.29 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.38 160.06 28.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.742 ' O ' HD12 ' A' ' 40' ' ' ILE . 9.4 t -146.22 19.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.59 177.07 46.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.55 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 6.1 m-20 -83.6 163.35 20.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t70 -94.48 -161.6 0.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.82 1.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.54 -1.09 19.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.62 -8.21 78.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.55 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.1 p-10 -79.31 154.86 76.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.09 131.16 13.87 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.456 1.766 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.742 HD12 ' O ' ' A' ' 31' ' ' SER . 96.5 mt -64.74 -81.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.23 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.641 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.7 tppt? 72.96 124.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.554 ' HG3' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -129.84 66.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.006 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -37.61 143.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.637 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.5 mm100 -86.64 -178.66 6.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.986 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.4 OUTLIER -137.03 66.02 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.8 tt0 -61.29 74.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.863 HD12 ' OG1' ' A' ' 21' ' ' THR . 2.3 pt -69.12 -168.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.579 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -129.98 7.1 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.579 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 49.07 114.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.639 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -122.76 -27.54 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.549 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -156.36 169.13 25.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.478 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -146.7 68.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.119 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -40.19 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.568 1.167 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.562 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -129.79 65.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 109.32 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.11 -157.89 10.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.1 -172.89 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.79 -34.92 15.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.43 -79.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.3 t70 153.5 170.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.604 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -101.83 -72.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.56 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.3 mt-10 73.73 -8.0 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.603 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -149.23 99.58 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.944 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.058 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -103.24 170.13 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.758 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -121.8 151.88 40.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.986 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.0 t -167.59 -159.35 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.663 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -110.42 152.66 43.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.006 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.01 -160.33 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.33 -170.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t -71.1 55.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 75' ' ' SER . . . 58.54 102.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.561 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -111.59 -32.23 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.387 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.663 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 8.7 m -128.38 7.75 5.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.562 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -147.21 -151.75 5.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.923 HG23 HD12 ' A' ' 104' ' ' ILE . 94.1 t -117.59 6.6 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.665 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 28.05 86.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.931 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.96 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -106.56 132.8 52.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.462 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -120.87 2.9 10.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.716 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.7 t 68.33 -57.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -56.25 -10.45 3.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.427 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -118.66 -18.33 4.85 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -121.77 -88.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 0.8 . . . . 0.0 109.345 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 160.76 -68.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.542 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -165.75 162.12 18.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.358 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.154 ' CG ' HD13 ' A' ' 86' ' ' ILE . 3.1 p90 -146.7 151.91 37.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.759 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.39 3.89 29.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.154 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.96 103.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.056 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.44 111.68 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.502 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.98 -175.53 18.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.7 mtpt -53.29 -36.41 61.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 0.789 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.47 173.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.4 tp10 -132.21 4.18 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.74 -120.53 3.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.7 140.83 49.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 81.16 -3.8 74.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.604 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.93 143.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.74 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.13 -168.7 3.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.758 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -128.83 128.29 43.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.583 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.058 HD13 HG21 ' A' ' 63' ' ' ILE . 4.9 pt -140.47 145.18 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.581 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.6 OUTLIER -141.74 163.7 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.422 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.595 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -58.51 -46.15 87.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.206 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.45 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -62.68 -31.86 72.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 108.324 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.439 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.5 t0 -73.95 167.85 20.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.056 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -71.03 118.08 13.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.923 HD12 HG23 ' A' ' 74' ' ' VAL . 6.5 pt -165.38 134.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.695 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.74 158.47 32.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.601 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.0 10.81 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.639 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 18.3 t90 71.07 -59.87 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 107.961 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.626 ' O ' HG23 ' A' ' 109' ' ' THR . 33.4 t70 -69.72 52.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.681 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.7 p -157.73 -55.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.019 HD22 ' HB3' ' A' ' 114' ' ' GLN . 50.7 mt 9.73 -107.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.97 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.397 1.061 . . . . 0.0 110.015 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.53 -62.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.511 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 27.4 m -49.65 -24.03 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.019 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.4 mp0 -87.95 -37.19 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.662 ' HG3' HD13 ' A' ' 110' ' ' LEU . 2.0 mtmt -68.12 -37.54 81.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.511 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -63.55 -19.89 65.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.663 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -90.04 -22.84 21.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.119 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 72.5 mt -61.54 -22.7 65.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.9 p -103.43 107.72 56.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -75.01 123.96 8.26 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.754 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.6 p -149.56 -132.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.754 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.51 85.06 0.17 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.623 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.422 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.97 1.11 8.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.574 HE22 ' HD3' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -138.35 -43.1 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.3 mt-30 -64.93 -5.27 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.827 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.79 -37.75 24.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.853 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.9 m-85 -87.4 1.81 52.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.1 m -111.2 -15.22 13.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 108.335 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.1 -39.06 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.58 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -56.25 170.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -148.39 14.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.784 HG23 ' HD3' ' A' ' 56' ' ' PRO . 11.1 p -165.74 89.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.023 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -101.39 118.09 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.652 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.7 OUTLIER -143.72 125.25 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.675 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 3.7 mtp180 -77.27 39.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.96 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.82 170.68 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.472 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 16.2 ptmt -124.41 121.69 35.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.86 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.66 104.25 16.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.68 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.5 m -107.16 -36.48 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.518 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -114.41 166.85 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.078 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.8 mp0 -149.97 -179.78 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -148.36 113.98 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.44 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 7.3 tt0 -75.17 90.78 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.56 HG13 ' HG2' ' A' ' 27' ' ' LYS . 10.0 m -97.2 94.57 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.502 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -45.11 146.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.652 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -133.22 15.5 4.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.19 -174.43 37.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.2 m120 -84.27 165.44 18.32 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -95.46 -161.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.78 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.56 1.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.598 1.186 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.78 -0.63 19.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.87 -8.77 76.79 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.41 153.88 79.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.5 Cg_endo -74.92 129.65 12.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.652 HG21 ' OG ' ' A' ' 31' ' ' SER . 52.8 mt -70.91 -84.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.548 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.03 124.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.49 ' HG3' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -129.74 68.05 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.952 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -41.46 145.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.644 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.3 mm100 -88.37 -177.15 5.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.932 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -137.43 68.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.552 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 13.6 tt0 -62.73 68.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.96 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.2 pt -66.44 -176.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.8 ttpt -118.51 -4.59 10.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.51 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.8 mm100 54.99 114.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.472 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -122.18 -35.36 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.541 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -145.49 160.82 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.492 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -140.21 68.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.974 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -35.94 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.618 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -126.93 70.08 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.17 -163.09 12.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.784 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.08 -170.59 0.81 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.29 -33.23 12.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.655 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.4 -81.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.655 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 151.11 164.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.641 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -106.87 -78.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.539 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.01 -7.04 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.584 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -146.11 96.28 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.033 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -100.67 172.49 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.658 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.17 153.43 41.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.861 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.5 t -170.81 -164.55 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.616 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -105.64 153.56 39.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.952 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.01 -160.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.35 -160.18 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.975 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.659 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 66.1 p -81.63 32.89 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 82.29 101.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.545 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -109.84 -40.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.677 ' HA ' HD22 ' A' ' 100' ' ' LEU . 16.7 m -121.46 13.34 10.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.542 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.33 -152.65 6.01 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.073 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.957 HG23 HD12 ' A' ' 104' ' ' ILE . 47.9 t -115.62 3.84 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.552 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 8.3 p 27.74 82.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.936 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.133 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.48 141.33 36.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.491 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -125.99 0.53 7.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.68 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.8 t 69.62 -56.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -55.1 -11.83 3.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.45 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -117.69 -16.28 6.0 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.44 -89.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 160.99 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.502 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -169.23 168.43 9.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.161 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -152.14 152.66 32.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.789 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.25 2.71 34.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.161 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.91 100.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.031 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.91 101.92 6.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.504 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -156.93 162.81 31.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -36.31 96.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.686 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -60.58 176.26 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.528 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.7 tp10 -124.85 4.35 8.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.17 -115.61 1.68 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.83 139.68 40.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.487 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 82.03 -2.16 84.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.589 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.39 142.84 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.766 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.5 -169.58 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.447 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -126.48 133.49 51.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.575 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.033 HD13 HG21 ' A' ' 63' ' ' ILE . 12.9 pt -144.45 142.08 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.645 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.8 OUTLIER -140.33 161.0 38.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.677 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -57.08 -43.69 82.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.252 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -63.22 -33.6 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 108.344 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.431 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.5 t0 -73.81 167.57 21.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.031 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.64 119.09 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.957 HD12 HG23 ' A' ' 74' ' ' VAL . 4.2 pt -165.8 135.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.715 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.84 158.8 32.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.613 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.02 10.12 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.675 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.6 t90 71.91 -59.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.649 ' O ' HG23 ' A' ' 109' ' ' THR . 42.8 t0 -70.35 52.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.651 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.0 p -158.43 -59.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.926 HD22 ' HB3' ' A' ' 114' ' ' GLN . 54.1 mt 15.18 -107.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.24 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.95 -65.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.479 ' N ' HG22 ' A' ' 112' ' ' THR . 24.1 m -49.48 -27.48 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.926 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.7 mp0 -82.57 -32.86 28.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -73.16 -42.6 62.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.29 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.574 ' HD3' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -60.89 -20.84 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.661 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.63 -15.15 33.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.974 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 63.4 mt -71.76 -20.15 61.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 119' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.453 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 9.6 p -88.49 113.85 57.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 103.25 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.738 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.2 p -126.34 -131.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.738 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.2 p80 41.31 82.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.568 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.73 6.32 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.562 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -139.09 -44.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 8.9 mt-30 -63.65 -6.24 5.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.816 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.15 -38.11 22.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.932 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -86.63 1.05 53.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.42 -13.96 14.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.275 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -98.0 -37.85 9.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.637 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -55.72 171.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.03 15.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.727 HG23 ' HD3' ' A' ' 56' ' ' PRO . 14.6 p -166.42 84.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.975 HG13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.75 120.94 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.696 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.0 OUTLIER -145.19 124.89 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.696 ' CZ ' ' CZ2' ' A' ' 107' ' ' TRP . 16.9 mtp180 -77.29 40.51 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.941 HG21 HD12 ' A' ' 47' ' ' ILE . 2.3 t -62.97 175.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.467 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.525 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.7 ptmt -129.02 120.66 26.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.833 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.5 103.15 15.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.639 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.9 m -105.08 -37.04 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.513 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -113.37 166.0 11.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.413 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 2.6 mp0 -150.85 -175.18 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.206 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.09 112.31 4.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.226 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.547 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.2 tt0 -75.97 90.08 2.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.594 HG23 ' HG3' ' A' ' 42' ' ' ARG . 16.8 m -97.5 79.67 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' OD1' ' OE1' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -44.61 142.39 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.7 t -127.94 30.19 5.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.51 -169.14 6.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.9 m120 -83.9 164.39 19.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.6 t70 -94.78 -161.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.769 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.99 1.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -109.0 -1.23 19.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.08 -8.72 77.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.8 p-10 -78.39 153.37 79.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.566 0.804 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.04 128.96 11.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.45 HG21 ' OG ' ' A' ' 31' ' ' SER . 23.4 mt -73.8 -95.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.485 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 25.6 ttmt 72.54 124.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.594 ' HG3' HG23 ' A' ' 29' ' ' VAL . 1.5 ptt85 -127.79 72.94 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.957 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -45.0 143.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.775 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.4 mm100 -86.55 -178.81 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 1.012 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -137.77 67.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.513 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.8 tt0 -63.12 70.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.941 HD12 HG21 ' A' ' 21' ' ' THR . 3.5 pt -67.87 -177.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.0 ttpt -120.44 -3.35 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.525 ' HG3' ' OD1' ' A' ' 59' ' ' ASP . 15.1 mm100 58.2 123.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.608 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -130.79 -37.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -149.85 154.58 38.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.503 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -132.66 72.84 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.909 ' CE2' HD22 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -37.81 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -135.81 76.3 1.6 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.32 -162.65 11.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.578 1.174 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.727 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.96 -175.77 2.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -90.04 -32.57 16.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.592 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.07 -79.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.649 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 4.2 t0 148.12 168.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.664 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -108.56 -76.98 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.537 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 2.1 mt-10 72.87 -9.12 1.15 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.524 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.2 m-85 -141.93 95.42 2.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.077 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -102.77 166.59 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.775 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.2 m-85 -120.36 157.66 28.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.189 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 1.012 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.6 t -172.88 -161.97 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.678 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -111.02 152.32 43.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.957 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.06 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 68.09 -159.11 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.708 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 46.2 t -81.78 28.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.952 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 85.7 96.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.628 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -104.32 -49.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.755 ' O ' HG22 ' A' ' 99' ' ' THR . 3.8 m -109.76 9.36 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.552 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.33 -152.88 5.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.842 HG23 ' CD1' ' A' ' 104' ' ' ILE . 70.6 t -117.55 2.26 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.647 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER 31.54 86.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.946 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -104.67 136.82 43.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.505 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -120.71 -5.39 9.7 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.639 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.9 t 69.64 -55.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -48.07 -13.93 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -117.87 -27.72 2.44 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -107.17 -94.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.533 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 165.7 -63.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.533 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -167.11 168.04 13.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.253 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.175 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -150.15 154.03 37.34 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.778 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.61 2.27 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.175 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.65 100.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.987 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.49 111.34 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.544 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.46 174.55 24.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.415 1.072 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.676 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.84 -34.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 0.0 109.383 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.687 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 82.19 173.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.531 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.7 OUTLIER -131.65 3.13 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.245 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.15 -120.47 3.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.96 143.22 50.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.494 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.77 -3.18 65.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.664 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.33 141.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.73 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.44 -168.46 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.92 128.25 43.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.077 HD13 HG21 ' A' ' 63' ' ' ILE . 3.1 pt -140.89 139.14 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.755 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -136.45 167.02 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.577 1.173 . . . . 0.0 110.349 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 101' ' ' CYS . 0.5 OUTLIER -62.38 -48.91 77.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.652 ' H ' HD23 ' A' ' 100' ' ' LEU . 6.5 t -63.44 -13.78 43.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 108.309 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.417 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.3 t0 -92.13 166.71 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.987 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -69.52 115.59 8.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.842 ' CD1' HG23 ' A' ' 74' ' ' VAL . 6.6 pt -165.28 129.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.69 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.53 159.19 36.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.05 10.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.696 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 14.1 t90 71.3 -61.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.664 ' O ' HG23 ' A' ' 109' ' ' THR . 57.2 t0 -69.83 52.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 108' ' ' ASP . 2.1 p -158.85 -59.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.904 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.3 mt 14.55 -106.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.05 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.0 -67.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.524 ' N ' HG22 ' A' ' 112' ' ' THR . 21.8 m -47.54 -25.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.904 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.5 mp0 -84.43 -34.04 23.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.345 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.827 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -71.83 -42.42 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.562 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.02 -20.99 64.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.619 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -88.47 -15.25 35.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.931 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.909 HD22 ' CE2' ' A' ' 53' ' ' PHE . 54.3 mt -72.62 -28.34 62.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.6 m120 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 0.0 109.338 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -97.89 110.1 54.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.944 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.02 3.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.712 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.8 p -140.11 -131.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.712 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.4 p80 39.43 95.0 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.24 15.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.793 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.571 ' OE1' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -124.76 -42.6 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 6.1 mt-30 -55.09 -10.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.818 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.46 -36.89 21.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.902 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -88.74 0.65 56.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 m -109.42 -15.13 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.25 -37.13 10.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.617 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -55.03 174.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -156.37 17.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 88' ' ' GLY . 14.1 p -166.0 78.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.969 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -93.73 118.11 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.632 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -144.73 124.63 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.662 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 10.9 ttp180 -76.71 41.13 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.904 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.1 t -60.81 171.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.528 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.5 ptmt -124.37 118.65 27.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.827 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.82 106.23 18.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.805 ' CG1' HG11 ' A' ' 78' ' ' VAL . 3.2 m -110.39 -37.09 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.507 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -112.48 163.47 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.986 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -148.36 -176.45 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.02 115.18 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 6.9 tt0 -75.09 92.57 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.57 HG13 ' HG2' ' A' ' 27' ' ' LYS . 6.7 m -99.51 93.83 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.492 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.5 m-20 -45.25 143.92 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.378 1.049 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.659 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -130.9 17.46 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.059 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.08 -174.08 30.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.437 1.086 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.7 m120 -84.72 165.89 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.0 t0 -95.5 -161.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -81.17 1.18 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -108.94 -1.56 18.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.6 -8.97 77.72 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.529 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -77.64 153.62 81.08 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.571 0.806 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.5 Cg_endo -74.96 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.659 HG21 ' OG ' ' A' ' 31' ' ' SER . 46.4 mt -71.91 -84.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.564 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.99 124.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.466 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -130.18 69.74 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.934 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -43.09 145.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.764 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.6 mm100 -87.21 -179.6 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.978 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.76 68.79 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.047 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.8 tt0 -63.35 68.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.181 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.904 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.5 pt -65.72 -175.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.519 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -123.53 0.16 8.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.519 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.54 128.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.561 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -134.59 -36.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' N ' HG12 ' A' ' 50' ' ' ILE . 3.0 tttt -144.36 167.32 22.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.361 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.555 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.92 65.05 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.823 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 18.9 m-85 -40.13 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -127.18 71.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.02 -158.72 9.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.568 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.01 -173.49 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -88.81 -34.69 16.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.227 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -81.94 -78.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.4 t70 152.39 171.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.591 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.4 mm -97.92 -73.12 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.568 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.86 -8.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.362 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.592 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -146.42 96.89 2.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.062 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.53 169.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.764 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 5.8 m-85 -122.35 155.48 35.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.929 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.7 t -172.68 -165.51 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.61 155.68 36.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.934 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.04 -165.54 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.52 -172.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.785 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -54.09 -33.84 58.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 149.06 109.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.643 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -115.91 -36.31 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.744 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 8.3 m -128.76 17.66 6.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.619 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -159.83 -153.48 6.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.931 HG23 HD12 ' A' ' 104' ' ' ILE . 64.8 t -117.19 -0.82 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.553 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 33.84 85.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.009 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.153 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -106.41 134.19 49.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.497 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -122.93 1.24 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.087 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.6 t 71.33 -58.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -54.68 -9.79 1.89 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.488 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.95 -20.99 3.95 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.52 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -124.05 -92.47 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 0.723 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.087 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.71 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.332 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.588 ' O ' ' O ' ' A' ' 106' ' ' PRO . 10.9 mp0 -148.21 149.46 31.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.153 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.9 p90 -130.88 153.08 49.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.793 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -83.97 3.53 33.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.137 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.19 104.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.036 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -130.01 110.22 11.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.707 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -147.52 170.2 28.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.684 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.0 tttm -39.6 -35.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 83.46 177.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.602 1.189 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.1 tp10 -134.96 7.31 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.44 -123.68 4.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.35 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 75.64 -0.47 60.95 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.107 . . . . 0.0 111.045 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.18 142.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.289 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.672 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.75 -170.0 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.982 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.69 130.13 48.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.062 HD13 HG21 ' A' ' 63' ' ' ILE . 6.3 pt -141.53 139.18 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.615 ' O ' HD11 ' A' ' 104' ' ' ILE . 2.0 p -138.33 163.82 30.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.439 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.514 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -62.5 -29.16 70.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -29.83 57.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 108.284 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.406 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.6 t0 -81.18 170.24 16.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.036 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.82 117.5 12.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.051 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.931 HD12 HG23 ' A' ' 74' ' ' VAL . 7.3 pt -164.42 132.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.502 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.51 157.36 32.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.588 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.4 Cg_endo -74.99 7.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.419 1.747 . . . . 0.0 111.049 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.793 ' HD1' HD12 ' A' ' 85' ' ' LEU . 2.5 t90 73.99 -57.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.03 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 109' ' ' THR . 65.9 t0 -69.34 50.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.683 ' O ' ' C ' ' A' ' 110' ' ' LEU . 13.3 p -158.67 -55.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.028 HD22 ' HB3' ' A' ' 114' ' ' GLN . 40.7 mt 8.49 -106.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 147.43 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.599 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.74 -63.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.482 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 20.6 m -51.03 -25.81 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.445 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.028 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.3 mp0 -84.17 -33.02 24.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.807 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -72.72 -42.45 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.571 ' CE ' ' OE1' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -64.09 -12.51 39.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.601 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.3 -19.81 17.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.823 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -71.05 -26.68 63.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 1.183 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.491 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 69.3 p -85.62 115.88 63.32 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.95 84.21 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.708 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.6 p -103.97 -132.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.708 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 42.0 93.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.595 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -27.86 9.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.57 ' OE1' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -120.11 -40.57 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 8.8 mt-30 -57.28 -8.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.814 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.75 -39.48 20.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.895 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -85.91 1.53 49.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.3 m -110.2 -15.08 14.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 108.241 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.95 -38.66 10.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.612 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.76 172.24 0.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -148.48 11.27 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.799 HG21 ' SD ' ' A' ' 96' ' ' MET . 4.9 p -166.91 92.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.952 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -100.88 122.86 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.555 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -145.24 126.28 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.697 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.5 mtp180 -77.27 37.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.231 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.95 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.4 t -60.87 163.67 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 14.8 ptmt -119.23 119.92 35.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.862 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.17 101.36 13.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.946 HG12 HG11 ' A' ' 78' ' ' VAL . 2.9 m -103.71 -35.69 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.503 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.7 161.73 18.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.1 -177.4 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.639 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -151.29 112.45 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.475 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 1.2 tt0 -74.55 92.73 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' HG2' ' A' ' 27' ' ' LYS . 11.4 m -99.17 80.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.78 139.4 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.524 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.7 t -125.43 32.6 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.67 -169.57 4.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.532 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.3 m120 -83.66 165.24 19.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.4 t70 -94.86 -162.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.46 0.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -108.49 -1.31 19.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.46 -9.54 75.2 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.106 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.4 p-10 -77.45 153.85 81.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.0 130.04 12.91 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.513 HD12 ' O ' ' A' ' 31' ' ' SER . 41.8 mt -75.22 -94.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 20.1 ttmt 72.13 121.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.495 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 1.6 ptt85 -126.14 69.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.026 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -39.3 146.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.759 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.4 mm100 -89.68 179.36 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 1.016 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.71 70.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.503 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.6 tt0 -64.66 66.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.59 1.181 . . . . 0.0 110.256 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.95 HD12 ' CG2' ' A' ' 21' ' ' THR . 1.7 pt -65.37 -176.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -119.24 0.9 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.502 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.3 mm100 49.37 107.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.471 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -115.57 -33.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.53 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -144.41 164.54 30.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.406 ' HG2' HG22 ' A' ' 19' ' ' ILE . 2.1 ttp -144.8 70.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.007 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -40.67 -77.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.542 ' O ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.23 165.89 21.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.525 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 128.8 -137.26 9.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.585 ' CD ' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.03 -163.11 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.79 -30.13 4.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.0 -81.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.556 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.6 t70 154.92 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.202 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.683 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.2 mm -102.83 -79.88 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.538 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 76.66 -8.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.589 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -143.45 94.09 2.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.807 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -104.33 171.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.388 1.055 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.759 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.0 m-85 -119.67 163.76 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.886 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.0 t -176.64 -174.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.625 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.04 148.3 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.026 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.99 -161.3 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.407 1.741 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.7 OUTLIER 58.42 -170.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.6 p -70.14 54.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.052 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 56.02 96.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.638 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -103.22 -34.42 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.175 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.67 ' HA ' HD22 ' A' ' 100' ' ' LEU . 19.6 m -131.7 10.98 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.813 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -150.54 -156.01 7.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.99 HG23 HD12 ' A' ' 104' ' ' ILE . 15.0 t -115.15 1.09 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 74' ' ' VAL . 79.2 p 30.03 84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.112 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.87 129.77 49.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.466 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.6 p30 -116.25 -3.46 11.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.982 HG22 ' O ' ' A' ' 82' ' ' LYS . 0.9 OUTLIER 72.04 -52.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.13 -15.33 0.38 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.503 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.6 -32.63 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.538 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -102.86 -95.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.982 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 163.81 -66.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.526 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -161.66 166.61 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.12 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.5 p90 -150.69 153.75 36.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.781 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.34 0.21 46.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.12 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 13.36 100.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.018 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.96 109.77 11.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.94 177.02 21.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.695 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 3.3 tttm -51.03 -28.63 10.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.715 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 83.68 -178.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.547 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.8 tp10 -136.92 -37.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.44 -150.33 11.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.7 130.08 45.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 0.75 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 83.8 -4.37 82.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -166.77 141.65 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.799 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -140.49 -158.6 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.94 130.28 27.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.69 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.807 HD13 HG21 ' A' ' 63' ' ' ILE . 10.2 pt -141.61 142.1 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.217 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.669 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.7 OUTLIER -140.37 159.49 42.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.67 HD22 ' HA ' ' A' ' 72' ' ' CYS . 1.0 OUTLIER -55.19 -46.64 75.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 2.4 t -61.69 -32.29 72.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 108.265 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.493 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 10.2 t0 -74.87 167.73 21.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.018 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -70.82 117.2 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.937 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.99 HD12 HG23 ' A' ' 74' ' ' VAL . 4.2 pt -165.53 132.35 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.634 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -152.0 159.35 33.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.604 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.0 Cg_endo -75.04 10.41 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.697 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 18.0 t90 71.38 -59.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.047 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.667 ' O ' HG23 ' A' ' 109' ' ' THR . 16.1 t70 -69.33 52.49 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.675 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.0 p -159.29 -56.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.947 HD22 ' HB3' ' A' ' 114' ' ' GLN . 52.1 mt 11.25 -108.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.45 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.583 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.93 -65.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.356 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.52 ' N ' HG22 ' A' ' 112' ' ' THR . 25.2 m -49.83 -26.59 4.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.452 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.947 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.5 mp0 -83.04 -31.15 27.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.576 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -75.5 -43.44 49.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.57 ' CE ' ' OE1' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -62.59 -13.44 31.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.619 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -96.74 -15.1 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 110.026 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.007 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 76.0 mt -69.63 -31.11 69.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.488 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 43.6 t . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -62.23 109.39 2.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.4 Cg_endo -74.97 76.76 3.29 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.467 1.772 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.757 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.1 p -98.79 -133.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.757 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.7 OUTLIER 43.54 93.96 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.129 . . . . 0.0 109.594 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.46 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.0 -32.97 4.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.482 ' NE2' ' HE3' ' A' ' 116' ' ' LYS . 1.6 tp60 -114.75 -36.33 4.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.451 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -58.16 -11.7 2.85 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.877 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.05 -34.94 29.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.895 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -89.44 -3.55 58.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.3 m -104.95 -9.67 17.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.371 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -103.47 -39.27 6.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.631 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.03 169.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.237 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -148.83 15.31 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.711 HG23 ' HD3' ' A' ' 56' ' ' PRO . 13.2 p -166.57 88.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.018 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -99.58 117.12 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.661 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.0 OUTLIER -142.27 124.74 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.634 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 8.2 mtp180 -78.1 39.67 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.919 HG21 HD12 ' A' ' 47' ' ' ILE . 2.2 t -60.09 179.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.73 ' HG2' HG22 ' A' ' 50' ' ' ILE . 13.7 ptmt -133.04 118.63 19.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.842 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.59 104.21 16.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.72 ' CG1' HG11 ' A' ' 78' ' ' VAL . 3.5 m -107.92 -35.85 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.37 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -113.71 161.64 17.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 110.06 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.5 mp0 -147.44 -177.23 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.64 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.3 ttpt -149.85 114.68 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 7.5 tt0 -75.3 92.27 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.537 HG13 ' HG2' ' A' ' 27' ' ' LYS . 22.3 m -103.99 119.64 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.437 ' CG ' ' HZ3' ' A' ' 41' ' ' LYS . 1.3 m-20 -61.7 159.12 14.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.663 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -146.69 18.2 1.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.162 . . . . 0.0 109.952 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.404 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 74.26 179.79 41.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.0 m-20 -84.14 164.41 19.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -96.16 -161.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.774 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.88 1.84 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -110.07 -0.34 18.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.582 1.176 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.31 -9.83 71.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.147 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.518 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.5 p-10 -77.72 154.6 81.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.08 129.76 12.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.663 HG21 ' OG ' ' A' ' 31' ' ' SER . 55.0 mt -65.2 -79.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.659 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.1 tppt? 69.56 125.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.483 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -130.63 68.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.319 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.952 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -40.07 146.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.754 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.7 mm100 -88.08 179.79 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.953 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.84 67.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.512 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.6 tt0 -63.35 70.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.919 HD12 HG21 ' A' ' 21' ' ' THR . 3.3 pt -66.34 -173.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.557 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -127.17 2.54 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 54.49 125.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.739 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -132.72 -30.23 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -155.03 167.25 30.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.48 ' HA ' HG22 ' A' ' 19' ' ' ILE . 3.2 ptp -144.83 69.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.105 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -38.28 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.616 ' HB3' HG23 ' A' ' 18' ' ' VAL . 13.7 tptp -133.24 72.26 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.1 -152.44 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.711 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.6 Cg_endo -74.96 -168.46 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.077 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -97.36 -33.81 11.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.24 -79.77 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.511 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.2 t70 155.65 170.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.572 HG21 HD13 ' A' ' 63' ' ' ILE . 1.8 mm -100.13 -74.23 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 72.81 -8.15 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.58 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -145.98 95.6 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -107.09 167.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.381 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.754 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.3 m-85 -121.33 152.26 39.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.924 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.5 t -167.38 -165.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.473 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.767 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.34 154.52 37.37 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.952 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.95 -161.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.88 -168.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.775 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 3.6 p -54.09 -40.18 67.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 152.29 102.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.717 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.9 OUTLIER -106.5 -44.49 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.167 . . . . 0.0 109.326 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.847 ' O ' HG22 ' A' ' 99' ' ' THR . 20.5 m -121.58 27.01 8.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 108.254 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.59 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -168.03 -153.62 8.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.886 HG23 HD12 ' A' ' 104' ' ' ILE . 96.1 t -121.08 -1.3 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.575 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.1 OUTLIER 34.68 82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.946 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.145 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.12 132.39 50.42 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.507 ' C ' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -118.22 1.27 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.72 HG11 ' CG1' ' A' ' 24' ' ' VAL . 3.4 t 68.88 -57.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -51.23 -13.56 1.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -116.13 -25.36 3.57 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -112.63 -90.04 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.5 -63.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -169.62 165.98 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.355 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.147 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.1 p90 -149.7 152.99 36.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.995 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.762 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.78 4.16 30.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.147 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 9.92 101.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.047 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.96 109.47 11.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.546 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.0 171.16 26.25 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.673 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -39.75 -36.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 83.78 175.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.517 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.2 tp10 -134.83 6.98 3.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.87 -122.85 4.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.04 142.56 50.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.24 -2.28 71.67 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.69 142.8 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 0.721 . . . . 0.0 109.345 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.661 ' HE3' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.54 -168.79 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.08 129.29 46.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.612 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.014 HD12 HG13 ' A' ' 86' ' ' ILE . 2.7 pt -141.52 141.67 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.847 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -142.1 164.7 29.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.717 HD22 ' O ' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -58.49 -44.57 89.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.374 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 2.6 t -63.52 -32.35 73.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.429 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.3 t0 -75.83 168.27 20.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.047 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.9 115.52 11.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.886 HD12 HG23 ' A' ' 74' ' ' VAL . 7.9 pt -162.86 132.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.678 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -151.67 158.48 34.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.615 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 11.98 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.631 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.2 t90 71.13 -62.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 108.019 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.665 ' O ' HG23 ' A' ' 109' ' ' THR . 16.9 t70 -69.47 53.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.668 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.3 p -158.82 -56.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.383 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.016 HD22 ' HB3' ' A' ' 114' ' ' GLN . 61.9 mt 11.68 -107.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 147.47 -41.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.83 -62.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.553 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 21.3 m -51.63 -22.62 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.016 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.2 mp0 -87.22 -37.45 17.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.608 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.1 mtmt -67.5 -38.19 83.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.553 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 2.7 pttt -64.32 -16.84 62.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.678 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -97.42 -9.7 26.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 0.0 109.96 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.105 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 28.4 mt -72.63 -30.05 63.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.3 p30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.564 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -141.34 124.24 9.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.98 134.77 18.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.436 1.756 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.759 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -154.84 -134.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.759 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.6 OUTLIER 32.94 90.49 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 4.38 4.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.528 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -140.46 -44.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.485 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.0 -7.21 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.203 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.779 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.57 -33.59 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.862 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.2 m-85 -89.89 -3.08 58.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -104.91 -13.79 15.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.7 OUTLIER -99.23 -39.95 8.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.581 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.55 172.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.36 13.6 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.764 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 5.0 p -167.55 90.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.033 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.3 t -99.82 116.33 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.598 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -141.85 123.59 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.651 ' CZ ' ' CZ3' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -76.79 40.96 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.322 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.969 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.3 t -63.32 174.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.374 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.541 ' HG2' HG22 ' A' ' 50' ' ' ILE . 12.8 ptmt -128.51 120.22 26.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.856 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.05 109.45 20.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.816 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.5 m -112.15 -35.62 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.493 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -116.11 169.38 9.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -151.9 179.28 8.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.1 ttpt -144.44 111.84 6.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.588 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 4.9 tt0 -74.33 91.68 2.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.357 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.498 HG13 ' HG2' ' A' ' 27' ' ' LYS . 33.1 m -107.31 116.56 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.5 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -57.54 162.25 3.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.556 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.1 t -147.4 18.57 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.66 177.5 46.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.2 m-80 -85.27 162.33 19.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 0.773 . . . . 0.0 109.291 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.8 t0 -93.74 -162.6 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.754 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -80.19 1.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.21 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -109.52 -0.79 18.64 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.5 -8.88 75.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.527 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.1 p-10 -78.31 153.36 79.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.09 130.14 12.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 31' ' ' SER . 64.6 mt -64.97 -79.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.588 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.2 tppt? 70.03 125.25 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.529 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.2 68.97 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.977 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.47 139.34 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.643 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 5.8 mm100 -81.72 -177.86 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.955 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.84 69.3 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.9 tt0 -63.17 68.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.969 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.6 pt -66.66 -175.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.464 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -120.52 -3.86 9.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.53 ' CD ' ' OD1' ' A' ' 59' ' ' ASP . 19.2 mm100 59.85 125.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.601 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -134.16 -38.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -144.51 151.16 38.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.379 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.423 ' HA ' HG22 ' A' ' 19' ' ' ILE . 4.3 ptt? -135.45 67.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.99 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.561 ' CG ' HD23 ' A' ' 118' ' ' LEU . 46.7 m-85 -44.55 -73.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.734 ' HB3' HG23 ' A' ' 18' ' ' VAL . 13.3 tptt -125.88 159.56 32.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.45 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 134.25 -143.96 15.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -163.04 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -116.67 -30.99 5.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.36 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -71.14 -76.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.677 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 2.7 t0 149.89 163.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.683 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.3 mm -104.57 -76.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.68 -9.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.286 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.596 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -142.4 93.7 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.95 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.014 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -97.96 171.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.582 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.96 146.8 49.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.775 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.8 t -161.21 -161.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.596 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -106.58 153.75 40.41 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.384 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.977 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.07 -160.13 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.32 -170.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.994 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.7 p -73.42 53.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 63.4 102.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.669 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -112.14 -30.57 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.678 ' HA ' HD22 ' A' ' 100' ' ' LEU . 12.1 m -132.04 12.2 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 108.256 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.604 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.81 -151.58 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.919 HG23 HD12 ' A' ' 104' ' ' ILE . 99.2 t -115.69 4.71 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.539 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 19.1 p 27.81 86.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.09 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.155 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.29 136.89 43.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.514 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -126.08 -0.31 7.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.068 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.4 t 72.34 -54.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.66 -11.18 1.81 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -118.99 -30.63 1.57 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.537 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -112.27 -95.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 0.794 . . . . 0.0 109.294 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.068 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.53 -84.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 106' ' ' PRO . 5.1 mp0 -145.52 159.28 43.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.155 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.3 p90 -145.4 152.61 40.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.764 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.27 5.01 24.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.144 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 9.31 101.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.033 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -127.48 106.63 9.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.63 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -159.67 156.31 27.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -36.22 94.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 109.359 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.764 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -55.57 175.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.516 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 21.0 tp10 -120.94 5.85 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.181 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.4 -108.47 0.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.114 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.04 135.98 23.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 84.83 -2.22 88.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.683 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.23 142.73 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.774 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.94 -168.6 3.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.564 ' ND1' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -127.47 130.61 49.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.606 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.014 HD13 HG21 ' A' ' 63' ' ' ILE . 4.8 pt -141.78 142.57 28.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.577 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.7 OUTLIER -140.02 163.82 31.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.413 1.071 . . . . 0.0 110.421 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -58.92 -46.57 87.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.441 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -62.44 -29.59 70.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 108.37 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.488 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 6.4 t0 -75.59 167.5 21.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.027 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -71.16 117.95 13.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.919 HD12 HG23 ' A' ' 74' ' ' VAL . 5.4 pt -164.84 135.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.613 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.83 157.61 30.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.561 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.0 Cg_endo -75.02 4.62 4.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.726 ' HD1' HD12 ' A' ' 85' ' ' LEU . 1.8 t90 77.92 -56.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.003 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.555 ' O ' HG23 ' A' ' 109' ' ' THR . 38.8 t70 -69.24 50.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.245 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.715 ' O ' ' C ' ' A' ' 110' ' ' LEU . 20.9 p -158.32 -51.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.026 HD22 ' HB3' ' A' ' 114' ' ' GLN . 42.7 mt 4.45 -105.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.653 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 144.92 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.36 -64.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.468 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.507 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 19.9 m -50.15 -25.29 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.026 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.6 mp0 -83.8 -35.19 24.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.619 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -70.4 -42.57 71.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.528 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.95 -19.43 64.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.648 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -96.62 -6.96 35.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.942 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.561 HD23 ' CG ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -81.7 -23.81 36.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.426 ' ND2' ' C ' ' A' ' 119' ' ' ASN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.565 ' O ' HD11 ' A' ' 100' ' ' LEU . 4.7 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.9 p -67.38 111.41 7.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.465 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.6 Cg_endo -74.95 70.1 5.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.401 1.738 . . . . 0.0 111.055 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.75 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.0 p -93.66 -134.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.75 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.8 p80 40.62 93.81 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.6 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.439 1.758 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.528 ' NE2' ' HE3' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -121.19 -38.48 2.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 12.0 mt-30 -58.25 -9.27 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.835 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.37 -38.29 24.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.878 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -87.42 1.47 53.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -109.56 -16.77 13.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 108.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -94.9 -38.66 10.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.59 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.06 173.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.399 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -155.66 18.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.895 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 7.3 p -167.45 80.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.949 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.93 117.45 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.647 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -143.09 125.03 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.696 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 6.1 mtp180 -75.77 38.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.854 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.3 t -59.89 169.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.615 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 14.7 ptmt -124.55 119.31 28.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.788 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.72 94.7 8.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.687 ' CG1' HG11 ' A' ' 78' ' ' VAL . 11.3 m -98.28 -35.71 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.517 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -113.43 162.06 16.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.73 -177.16 5.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.645 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -152.32 111.72 3.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.499 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -74.41 92.1 2.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.234 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' HG2' ' A' ' 27' ' ' LYS . 12.5 m -98.51 80.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -45.36 140.06 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.525 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.5 t -125.53 29.87 5.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.406 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 59.94 -169.91 7.04 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.7 m-20 -83.83 164.68 19.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 0.726 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.5 t0 -95.23 -162.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.14 1.26 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -108.35 -1.33 20.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.96 -9.07 75.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -78.08 153.21 79.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.791 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.12 129.13 11.95 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 31' ' ' SER . 33.3 mt -73.63 -96.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 22.9 ttmt 73.42 122.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.486 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -127.14 68.39 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.994 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -37.74 146.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.729 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.1 mm100 -89.57 179.21 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.974 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.24 68.33 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.517 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.5 tt0 -63.24 70.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.854 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -65.32 -167.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.652 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.9 ttpt -133.52 12.34 4.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.652 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 41.9 110.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.546 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -118.48 -28.87 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.534 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -152.63 167.8 27.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.51 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.19 69.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.792 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -40.98 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -132.22 71.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.02 -157.83 9.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.641 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.98 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.43 1.753 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -87.89 -33.61 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.547 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.03 -81.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 0.0 109.252 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 5.0 t70 152.45 170.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.064 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.623 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -102.48 -72.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 73.64 -9.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -145.72 98.49 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.957 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -105.8 168.51 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.729 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 5.6 m-85 -121.6 151.77 40.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.864 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 3.9 t -166.99 -169.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.348 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.672 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -103.3 149.62 37.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.994 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.02 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 65.89 -157.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.941 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.716 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 5.7 p -80.77 25.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.72 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 86.19 99.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.654 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -106.25 -41.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.219 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.672 ' H ' ' HB3' ' A' ' 66' ' ' ALA . 13.1 m -121.97 12.81 10.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.72 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -151.37 -161.82 10.33 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.922 HG23 HD12 ' A' ' 104' ' ' ILE . 43.8 t -109.5 -0.57 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.76 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 74' ' ' VAL . 25.8 p 31.04 79.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 110.044 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.001 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.03 129.52 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.24 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.539 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -107.48 -8.34 16.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.959 HG22 ' O ' ' A' ' 82' ' ' LYS . 2.5 t 70.51 -52.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.89 -15.48 0.17 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -117.59 -30.73 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.539 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -103.0 -93.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.959 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.36 -84.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 7.6 mp0 -151.15 149.68 29.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.152 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -126.37 154.5 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.702 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.55 4.4 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.152 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.13 105.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.011 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -130.81 109.91 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.576 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.77 -177.7 19.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.616 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.4 -32.21 25.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.895 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 78.45 175.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.534 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.7 tp10 -133.15 4.58 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.14 -124.83 4.47 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.04 141.9 51.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 0.726 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 79.4 -3.91 65.62 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.623 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -173.89 139.66 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.715 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.77 -173.29 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.998 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.46 130.68 53.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.957 HD13 HG21 ' A' ' 63' ' ' ILE . 14.7 pt -142.11 133.35 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.639 ' O ' HD11 ' A' ' 104' ' ' ILE . 63.0 p -133.39 159.9 38.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.654 HD22 ' O ' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -54.2 -16.88 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 99' ' ' THR . 0.4 OUTLIER -96.26 -26.71 15.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 108.273 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.638 ' O ' ' C ' ' A' ' 103' ' ' PHE . 8.6 t0 -83.44 104.49 13.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.011 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -11.68 120.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.922 HD12 HG23 ' A' ' 74' ' ' VAL . 3.9 pt -166.97 135.45 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.685 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.77 157.96 31.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.646 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.09 12.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.696 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.2 t90 70.92 -61.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.674 ' O ' HG23 ' A' ' 109' ' ' THR . 43.7 t0 -69.36 52.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 108' ' ' ASP . 1.9 p -159.13 -55.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.995 HD22 ' HB3' ' A' ' 114' ' ' GLN . 62.9 mt 10.9 -106.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 148.52 -43.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.558 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.8 -65.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.397 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.538 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 22.4 m -50.37 -21.23 1.34 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.995 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.3 mp0 -87.38 -37.93 16.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.647 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.5 mtmt -67.42 -39.06 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.538 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 1.9 pttt -64.14 -14.57 55.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.622 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -97.68 -15.5 20.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.792 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 83.0 mt -71.86 -29.33 64.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.417 ' ND2' ' C ' ' A' ' 119' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 p -141.35 113.83 6.77 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.484 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 71.45 4.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.787 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.742 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -82.78 -133.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.742 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 32.62 91.24 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.616 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.765 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.96 3.82 5.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.414 1.744 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.587 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 44.8 tp60 -140.52 -41.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 1.1 mt-30 -67.3 -6.32 18.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.771 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.33 -36.8 22.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.876 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -87.25 -4.88 59.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 m -102.8 -16.65 15.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 108.277 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -94.2 -40.4 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.62 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.6 173.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.49 17.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.827 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 6.9 p -166.94 81.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.938 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.96 119.39 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.565 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -145.45 126.72 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.686 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.4 ttp180 -77.85 42.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.969 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.9 t -64.41 165.53 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 13.4 ptmt -119.43 122.23 41.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.836 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -95.93 103.28 15.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.599 1.187 . . . . 0.0 109.322 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.951 HG12 HG11 ' A' ' 78' ' ' VAL . 4.6 m -107.58 -38.01 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.49 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.3 t -113.16 159.01 19.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HB3' HG23 ' A' ' 43' ' ' ILE . 1.1 mp0 -144.79 -175.64 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.36 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.641 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.6 ttpt -151.93 114.76 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.617 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 0.7 OUTLIER -74.97 95.79 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.563 HG13 ' HG2' ' A' ' 27' ' ' LYS . 6.2 m -102.55 78.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.45 140.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.4 t -126.9 31.42 5.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.972 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.17 -170.33 7.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.429 1.08 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.1 m-20 -84.41 165.87 17.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -96.09 -161.9 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.67 0.16 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.217 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -107.89 -0.74 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.66 -8.98 75.66 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -77.51 152.55 81.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.383 0.696 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.11 129.34 12.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.478 HD12 ' O ' ' A' ' 31' ' ' SER . 25.3 mt -73.12 -95.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' HD3' ' CD1' ' A' ' 43' ' ' ILE . 17.3 ttmt 73.14 118.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.47 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 1.1 ptt180 -122.56 67.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.617 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 1.2 mp -38.1 146.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.772 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.8 mm100 -88.7 -179.51 6.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.996 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.33 68.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 14.4 tt0 -62.34 68.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.969 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.5 pt -65.97 -176.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.7 OUTLIER -118.39 -4.81 10.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.511 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 14.2 mm100 54.31 111.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.464 HD11 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -118.76 -35.25 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.444 ' N ' HG12 ' A' ' 50' ' ' ILE . 1.5 tttt -144.7 163.66 33.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.527 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -143.27 68.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 111.032 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.116 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.3 m-85 -37.84 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.89 73.55 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 17' ' ' VAL . . . -121.72 -162.52 11.65 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.66 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.06 -172.81 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.434 1.755 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -93.03 -33.75 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.627 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -74.31 -81.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.627 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 153.7 165.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.596 1.185 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.584 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -105.63 -79.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.533 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.09 -8.7 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.579 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.0 m-85 -142.81 94.24 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.991 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -100.99 171.26 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.772 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 7.3 m-85 -122.39 154.9 37.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.895 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.9 t -171.91 -170.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.546 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -105.57 146.39 32.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.443 ' O ' HG13 ' A' ' 71' ' ' VAL . 18.2 Cg_endo -75.0 -161.26 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER 58.73 -168.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.06 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 70' ' ' ALA . 15.4 p -68.77 55.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.021 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.81 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 51.96 101.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.488 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -102.59 -37.91 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.666 ' HA ' HD22 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -133.83 20.11 3.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 108.256 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.81 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -154.04 -163.11 11.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.422 1.076 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.939 HG23 HD12 ' A' ' 104' ' ' ILE . 62.7 t -110.23 5.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 74' ' ' VAL . 90.0 p 26.7 85.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.121 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.31 133.08 48.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.333 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.521 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.1 p30 -120.17 -4.63 10.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.067 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.4 t 72.96 -49.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -54.67 -11.83 3.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.54 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -120.57 -36.69 0.77 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.54 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -101.26 -96.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 0.725 . . . . 0.0 109.328 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.067 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.25 -82.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.555 ' O ' ' O ' ' A' ' 106' ' ' PRO . 1.3 mp0 -148.21 158.24 43.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.142 ' CG ' HD13 ' A' ' 86' ' ' ILE . 3.0 p90 -142.35 152.37 42.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.722 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.23 4.49 26.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.142 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.04 105.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.031 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -130.96 111.02 11.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.612 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.31 177.98 22.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.599 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.2 tttm -49.79 -26.66 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.238 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.827 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 76.83 175.43 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.7 tp10 -132.98 5.24 3.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.1 -121.36 3.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.78 142.81 50.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 79.93 -5.71 61.38 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.584 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -172.73 147.22 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.789 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.715 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.16 -169.53 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.55 132.28 52.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.0 109.65 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.991 HD13 HG21 ' A' ' 63' ' ' ILE . 10.6 pt -145.02 135.74 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.654 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.4 p -137.98 162.88 32.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.666 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -60.89 -27.6 68.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -31.04 55.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 108.3 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.414 ' O ' HG12 ' A' ' 104' ' ' ILE . 3.2 t0 -80.9 170.09 16.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.223 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.031 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.27 118.87 13.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 111.058 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.939 HD12 HG23 ' A' ' 74' ' ' VAL . 6.1 pt -165.26 135.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.548 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.73 158.26 31.71 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.572 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.98 7.4 2.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.686 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 9.2 t90 74.57 -58.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 107.998 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 109' ' ' THR . 53.7 t0 -69.45 51.22 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 8.5 p -158.32 -51.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.007 HD22 ' HB3' ' A' ' 114' ' ' GLN . 53.6 mt 5.52 -107.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.387 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 145.51 -39.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.615 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.66 -64.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 110.451 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 8' ' ' PRO . 2.9 m -48.54 -26.85 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.007 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.8 mp0 -83.75 -35.43 24.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.389 1.055 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.468 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -68.91 -41.55 78.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.55 -15.13 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.637 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -97.83 -8.71 27.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.037 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.116 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 49.5 mt -77.29 -29.85 53.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.73 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.1 t . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 37.2 p -97.27 127.52 38.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.94 101.39 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.713 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.6 p -121.52 -132.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.713 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.39 90.47 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.394 0 O-C-N 124.458 1.099 . . . . 0.0 109.605 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.452 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.06 -28.8 8.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.441 1.759 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.599 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 40.7 tp60 -115.53 -31.62 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -70.42 -6.92 39.19 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.722 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.7 -36.72 21.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.408 1.067 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.911 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.1 m-85 -90.19 7.25 39.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.458 ' SG ' ' NE2' ' A' ' 9' ' ' GLN . 6.4 m -116.4 -8.72 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 108.34 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.36 -38.91 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.646 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.76 172.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.78 14.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.654 HG23 ' HD3' ' A' ' 56' ' ' PRO . 13.6 p -165.68 87.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.944 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -98.78 120.06 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.611 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -145.7 125.98 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.68 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.1 mtp180 -76.96 39.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.571 1.169 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.006 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.9 t -63.75 163.27 11.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 14.6 ptmt -118.62 122.3 42.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.834 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.49 101.04 12.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.936 HG12 HG11 ' A' ' 78' ' ' VAL . 5.3 m -104.28 -34.87 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.515 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.0 t -116.88 161.7 18.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.051 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.2 mp0 -144.36 -176.38 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.0 ttpt -152.1 113.09 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.3 tt0 -75.0 92.05 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.585 HG13 ' HG2' ' A' ' 27' ' ' LYS . 11.5 m -99.28 95.48 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.504 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.7 m-20 -44.9 146.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.679 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -133.08 18.71 4.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.86 -175.24 23.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.525 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.2 m120 -84.66 164.87 18.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 0.754 . . . . 0.0 109.238 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.4 t0 -94.52 -162.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.785 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.08 0.84 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -107.93 -0.71 21.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 -8.66 76.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.525 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -78.87 154.09 77.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 131.54 14.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.679 HG21 ' OG ' ' A' ' 31' ' ' SER . 47.1 mt -73.31 -83.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.548 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.33 123.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.484 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 2.3 ptt180 -128.82 67.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.907 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.54 143.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.2 mm100 -86.52 -177.78 6.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.977 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.59 68.76 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.8 tt0 -62.03 71.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 1.006 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.9 pt -70.64 -176.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -119.99 10.11 11.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.568 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.0 mm100 36.8 100.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.5 ' CD1' ' OE2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -108.64 -33.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.536 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -143.93 162.83 35.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.3 OUTLIER -144.46 70.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 111.044 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.022 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.3 m-85 -36.46 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -132.02 80.94 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.179 . . . . 0.0 109.341 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.95 -160.86 10.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.573 1.17 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.654 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.02 -171.44 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -94.68 -33.6 12.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.606 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -72.84 -79.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.606 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.3 t70 148.2 165.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.393 1.058 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.768 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.7 OUTLIER -106.88 -78.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 74.23 -9.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -142.36 96.35 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.062 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -99.65 169.35 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -123.24 150.0 44.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.812 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.8 t -165.92 -163.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -107.66 153.51 41.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.907 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.01 -159.23 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.529 1.805 . . . . 0.0 111.005 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.411 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.4 OUTLIER 58.76 -168.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.975 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 0.4 OUTLIER -75.86 48.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.03 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.589 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 67.53 100.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.631 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -109.29 -34.61 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.7 ' HA ' HD22 ' A' ' 100' ' ' LEU . 12.1 m -127.22 8.58 6.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.289 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.607 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.8 -149.94 5.13 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.904 HG23 HD12 ' A' ' 104' ' ' ILE . 87.2 t -117.67 3.83 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.561 ' OG ' ' HB2' ' A' ' 70' ' ' ALA . 90.1 p 28.34 83.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.096 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.44 129.65 50.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.587 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -117.0 -8.38 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.936 HG11 HG12 ' A' ' 24' ' ' VAL . 1.4 t 75.49 -28.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.569 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.59 -11.19 34.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.501 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -128.57 -34.21 0.54 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -95.78 -101.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.895 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.74 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.515 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -161.7 166.19 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 110.309 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.146 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.4 p90 -149.75 152.36 35.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.699 HD11 HG23 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -83.33 4.88 25.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.146 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.08 104.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.023 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.82 109.51 10.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.504 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.88 178.17 22.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.697 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -47.03 -38.69 11.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.43 176.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.536 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.6 tp10 -134.55 5.97 3.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.595 1.184 . . . . 0.0 110.345 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.02 -121.73 3.84 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.496 1.123 . . . . 0.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -130.13 144.44 51.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.484 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.52 -4.48 59.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.586 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.26 144.0 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 109.258 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.768 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -145.77 -168.35 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.432 ' ND1' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -130.2 128.46 41.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.588 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.062 HD13 HG21 ' A' ' 63' ' ' ILE . 4.0 pt -140.13 141.43 33.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.585 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -138.03 164.51 28.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.402 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.73 HD11 ' O ' ' A' ' 3' ' ' CYS . 1.4 pt? -58.86 -48.07 82.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.453 ' H ' HD23 ' A' ' 100' ' ' LEU . 2.6 t -61.32 -27.63 68.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 108.385 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.487 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.3 t0 -77.87 165.75 23.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.023 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.23 117.63 12.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.904 HD12 HG23 ' A' ' 74' ' ' VAL . 6.4 pt -164.99 135.08 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.699 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.57 158.6 32.65 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.615 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.98 11.19 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.68 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 19.4 t90 71.57 -61.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.94 -1.134 . . . . 0.0 107.94 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 109' ' ' THR . 32.3 t70 -69.6 53.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.684 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.4 p -158.87 -53.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.016 HD22 ' HB3' ' A' ' 114' ' ' GLN . 72.5 mt 9.48 -107.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 145.85 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.059 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.591 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.2 -64.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.393 1.058 . . . . 0.0 110.413 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 15.2 m -49.55 -26.03 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.176 . . . . 0.0 110.401 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.016 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.4 mp0 -84.01 -36.28 23.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.584 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -69.23 -42.29 75.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.466 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.07 -15.06 42.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.61 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.95 -21.6 18.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.024 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.022 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 75.2 mt -63.88 -29.24 70.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.582 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.3 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.2 p -143.18 117.92 6.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.05 73.86 4.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.75 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -83.98 -132.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.75 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 31.42 90.86 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 0.0 109.506 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.743 ' O ' HG22 ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.01 5.06 4.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.541 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 61.7 tp60 -142.08 -40.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.3 mt-30 -70.16 -0.94 8.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.787 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -89.2 -34.02 16.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.865 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.3 m-85 -88.98 -20.46 24.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.7 m -86.81 -13.45 45.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 108.36 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.91 -43.06 7.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.65 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -51.88 169.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -149.6 16.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 17' ' ' VAL . 6.2 p -164.57 82.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.914 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -97.47 120.63 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.712 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.94 125.54 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.646 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 17.4 mtp180 -77.35 41.13 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.917 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.4 t -62.65 173.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 110.339 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.619 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.5 ptmt -127.34 119.55 26.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.835 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.89 103.14 15.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.871 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.8 m -106.18 -37.04 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.516 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -110.47 167.55 10.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -152.72 -175.69 5.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.246 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -152.02 115.2 4.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 1.2 tt0 -76.48 93.97 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.432 HG13 ' HG2' ' A' ' 27' ' ' LYS . 30.8 m -109.95 119.18 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.409 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 1.8 m-20 -68.13 155.33 39.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB3' HG22 ' A' ' 40' ' ' ILE . 4.4 t -137.27 20.65 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 77.75 179.31 49.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.512 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -83.3 162.94 20.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.6 t70 -94.97 -160.62 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.78 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.67 -0.15 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -108.24 -0.81 20.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.06 -9.47 74.59 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.512 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -77.21 152.89 82.07 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.04 128.91 11.83 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.554 1.818 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.474 HG22 ' HB3' ' A' ' 31' ' ' SER . 55.9 mt -65.43 -86.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 19.7 ttmm 74.97 127.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.486 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -131.83 69.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.96 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -37.98 148.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.804 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.4 mm100 -89.81 177.31 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 1.017 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.68 67.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.516 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 11.2 tt0 -62.48 70.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.917 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.4 pt -65.7 -174.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -124.64 0.57 8.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 55.16 124.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.638 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -131.5 -33.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.472 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -151.12 165.04 35.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.537 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.3 OUTLIER -144.2 71.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.95 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.656 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -42.21 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -129.07 62.69 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.31 -159.41 12.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.498 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.08 -167.43 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -94.38 -36.22 12.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.523 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -80.21 -80.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.523 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t0 155.58 170.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.644 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.4 mm -100.14 -71.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.13 -9.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.607 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -146.64 99.25 3.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.004 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -104.52 171.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.804 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 11.1 m-85 -124.04 145.53 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.064 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.739 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.2 t -162.42 -166.54 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -103.04 149.91 37.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.96 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.05 -160.46 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.46 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.41 -160.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.74 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 47.9 t -80.21 25.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.991 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 89.89 99.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.568 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -105.92 -40.41 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.658 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 21.0 m -126.24 20.13 7.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 108.341 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.538 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -155.65 -158.49 8.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.985 HG23 HD12 ' A' ' 104' ' ' ILE . 26.0 t -113.85 -0.14 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.704 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER 32.12 88.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.05 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.073 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -103.39 133.96 47.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.54 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -116.91 -7.01 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.072 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 72.0 -53.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.468 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -49.43 -14.52 0.6 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.575 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -116.49 -35.98 1.13 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.575 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -101.26 -99.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.221 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.072 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 169.51 -83.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.558 ' O ' ' O ' ' A' ' 106' ' ' PRO . 5.7 mp0 -148.2 148.77 30.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.135 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.4 p90 -129.33 153.94 47.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.61 1.194 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.697 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.11 2.79 37.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.135 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.12 103.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.047 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.99 109.25 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.579 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -146.15 167.74 27.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.161 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.646 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.6 tttm -36.88 -34.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.65 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 81.31 176.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.53 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.4 tp10 -134.25 7.73 3.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.05 -121.92 4.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.54 145.34 51.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.589 0.817 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 76.91 -2.92 58.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.644 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.66 147.36 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 0.731 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.725 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -150.05 -168.96 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.28 132.26 50.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.567 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.004 HD13 HG21 ' A' ' 63' ' ' ILE . 10.1 pt -145.46 135.29 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.664 ' O ' HD11 ' A' ' 104' ' ' ILE . 5.9 p -135.74 163.27 30.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.582 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -62.35 -28.55 69.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -26.92 51.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 108.292 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.414 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.7 t70 -83.83 172.48 12.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.047 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -72.64 119.2 16.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.985 HD12 HG23 ' A' ' 74' ' ' VAL . 5.2 pt -165.57 134.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.618 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.69 157.64 31.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.581 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 10.62 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.463 1.77 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.519 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 15.8 t90 71.89 -59.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.646 ' O ' HG23 ' A' ' 109' ' ' THR . 25.6 t70 -68.74 51.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.7 p -158.66 -54.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.965 HD22 ' HB3' ' A' ' 114' ' ' GLN . 48.2 mt 7.43 -108.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 147.74 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.615 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.63 -65.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.435 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.743 HG22 ' O ' ' A' ' 8' ' ' PRO . 2.4 m -48.23 -24.0 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.965 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.9 mp0 -86.88 -39.58 15.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.518 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -65.19 -38.99 92.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.521 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.5 -18.46 59.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.613 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -92.81 -11.46 33.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.945 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.656 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 63.3 mt -85.02 -21.84 29.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.468 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.9 m . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.9 p -108.66 108.5 60.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.421 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -75.04 127.3 10.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.772 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -153.73 -134.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.772 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.9 p80 37.42 89.93 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.542 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.94 0.94 8.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.529 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.9 OUTLIER -136.45 -42.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.534 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -62.44 -7.96 5.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.772 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.8 -34.7 30.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.864 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.3 m-85 -90.3 2.57 55.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -110.03 -13.32 14.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 108.276 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.08 -41.45 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.614 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.03 170.94 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.87 12.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.798 HG21 ' SD ' ' A' ' 96' ' ' MET . 4.6 p -166.68 93.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.027 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -101.03 122.12 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.553 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.88 124.72 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.674 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 5.3 mtm180 -77.84 38.66 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.082 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.96 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.3 t -61.47 170.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.48 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 15.4 ptmt -124.49 120.49 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.884 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.68 105.0 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.74 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.3 m -106.88 -37.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.53 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -113.05 167.14 10.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -150.04 -173.41 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.677 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.0 ttpt -154.12 113.44 3.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.474 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -76.51 91.53 3.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 29' ' ' VAL . 32.0 m -106.15 108.31 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.543 ' CG ' ' HZ1' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -64.27 148.95 49.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.459 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.1 t -130.24 26.27 5.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.932 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.39 -177.35 33.17 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.565 1.165 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -84.23 163.69 19.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.5 t0 -95.39 -161.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.788 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.5 mp -80.71 0.7 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.18 -1.06 20.59 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.52 -8.64 76.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.416 1.072 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.76 152.16 77.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.9 129.23 12.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.411 1.742 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 31' ' ' SER . 54.4 mt -68.08 -89.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.543 ' HZ1' ' CG ' ' A' ' 30' ' ' ASP . 20.3 ttmm 74.04 126.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.509 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -132.14 69.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.943 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -37.94 150.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.799 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.4 mm100 -92.57 178.92 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.908 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -135.7 69.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.53 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.2 tt0 -63.78 66.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.569 1.168 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.96 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.0 pt -65.8 -178.29 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.48 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 9.5 ttpt -115.55 -7.53 12.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.175 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.529 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.6 mm100 56.9 112.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.439 HG12 ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -120.57 -34.35 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.504 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -144.27 163.62 33.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.343 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.473 ' O ' ' CG ' ' A' ' 52' ' ' MET . 3.5 ptp -145.37 72.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.855 ' CE2' HD22 ' A' ' 118' ' ' LEU . 1.7 m-85 -42.81 -74.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.87 ' HB3' HG23 ' A' ' 18' ' ' VAL . 10.5 tptp -128.63 164.44 22.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.571 ' HA3' HG23 ' A' ' 17' ' ' VAL . . . 128.57 -140.82 12.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.563 1.164 . . . . 0.0 111.085 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.428 ' CD ' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.0 -165.9 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.34 -29.5 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -68.73 -80.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.555 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.2 t70 154.62 159.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.709 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.4 mm -99.87 -79.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HG3' ' CG ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER 75.06 -9.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -144.55 97.95 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 111.021 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.949 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.72 168.72 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.799 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 5.7 m-85 -120.9 154.16 36.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.805 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.5 t -167.49 -165.34 0.66 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.73 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -103.51 149.13 36.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.943 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.02 -157.95 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.82 -170.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 t -69.78 53.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.622 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 56.89 103.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.534 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -111.75 -38.97 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.73 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 24.7 m -123.0 15.0 9.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.58 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.15 -157.11 7.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.127 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.92 HG23 HD12 ' A' ' 104' ' ' ILE . 81.1 t -110.44 -0.82 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 0.802 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.622 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 15.0 p 32.51 84.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.063 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.145 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.48 140.59 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.47 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -126.93 2.02 6.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.245 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.74 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.5 t 68.95 -56.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -57.3 -9.28 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.413 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.42 -17.69 4.74 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.34 -90.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.72 -67.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.532 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -164.31 165.32 21.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.145 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.5 p90 -150.94 152.45 33.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.831 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.3 0.41 45.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.123 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 13.9 101.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.053 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.44 107.74 9.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.27 175.35 21.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.097 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.705 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -47.41 -31.23 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.739 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 84.38 -179.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.389 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.582 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.1 tp10 -135.72 -37.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.63 -142.05 6.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.073 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.91 129.38 54.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 79.26 3.93 88.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -170.91 134.09 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.798 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -137.79 -160.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.53 125.62 21.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.624 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.977 HD12 HG13 ' A' ' 86' ' ' ILE . 3.4 pt -139.25 139.79 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.637 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.4 p -137.51 166.07 24.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.58 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -63.27 -33.74 76.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -29.53 63.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.257 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.422 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 14.8 t0 -78.36 170.14 17.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.053 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.7 118.01 14.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.92 HD12 HG23 ' A' ' 74' ' ' VAL . 6.7 pt -165.02 133.58 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.666 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -152.51 157.82 33.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.562 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 8.4 2.44 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' A' ' 109' ' ' THR . 10.6 t90 73.51 -58.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.989 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.61 ' O ' HG23 ' A' ' 109' ' ' THR . 18.5 t70 -68.16 51.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.8 p -158.32 -54.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.022 HD22 ' HB3' ' A' ' 114' ' ' GLN . 45.3 mt 6.51 -107.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.659 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 145.01 -39.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.616 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.57 -65.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 8' ' ' PRO . 2.5 m -49.21 -24.79 1.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.453 1.096 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.022 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.2 mp0 -85.65 -30.7 23.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.69 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -76.16 -40.84 51.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.529 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.11 -18.66 63.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.667 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.45 -14.03 29.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.056 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.855 HD22 ' CE2' ' A' ' 53' ' ' PHE . 57.5 mt -69.99 -30.86 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.7 p -137.24 118.27 10.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.87 97.19 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.564 1.823 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.739 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.6 p -117.55 -133.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.739 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.9 OUTLIER 34.44 86.51 0.13 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.638 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.795 ' O ' HG22 ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.03 4.57 4.63 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.512 1.796 . . . . 0.0 111.0 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.576 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -141.66 -44.48 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.4 mt-30 -63.73 -6.64 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.797 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.73 -37.14 27.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.854 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 2.0 m-85 -88.03 2.42 51.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 m -111.79 -15.22 13.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.291 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.02 -40.19 8.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.603 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.95 173.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.78 15.16 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.78 HG23 ' HD3' ' A' ' 56' ' ' PRO . 10.7 p -166.47 87.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.01 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.2 120.37 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.621 HG13 HG22 ' A' ' 21' ' ' THR . 0.8 OUTLIER -145.49 124.63 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.172 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.609 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.6 tmm_? -78.63 41.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.856 ' CG2' HD12 ' A' ' 47' ' ' ILE . 1.1 t -63.55 175.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.514 ' HG2' HG22 ' A' ' 50' ' ' ILE . 16.3 ptmt -129.0 119.13 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.894 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.6 105.0 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.73 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.9 m -107.83 -36.21 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.0 t -115.51 163.25 16.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.055 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.2 mp0 -148.13 -176.54 5.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.2 ttpt -151.29 111.71 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.474 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -74.8 92.55 2.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.524 HG13 ' HG2' ' A' ' 27' ' ' LYS . 30.1 m -102.5 86.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -46.87 147.48 1.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.365 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.629 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.3 t -132.29 30.86 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.07 -173.27 10.19 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -83.97 165.25 18.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.3 t0 -95.64 -161.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.52 0.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -107.41 -1.93 21.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.31 -7.99 79.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -79.29 153.41 76.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.01 129.04 11.96 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.521 1.8 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 31' ' ' SER . 59.6 mt -70.52 -95.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.475 ' N ' HG22 ' A' ' 40' ' ' ILE . 25.4 ttmt 74.81 121.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.208 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -125.83 66.04 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.049 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -35.43 146.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.778 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.3 mm100 -88.45 -179.49 6.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.932 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -138.07 66.53 1.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.484 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.0 tt0 -63.05 69.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 1.01 HD11 ' O ' ' A' ' 60' ' ' ILE . 2.0 pt -66.03 -169.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.523 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -126.64 0.03 6.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 51.66 112.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.604 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -122.38 -31.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.12 163.59 37.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.71 69.55 1.26 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.058 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.2 m-85 -37.96 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.533 1.146 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.74 73.52 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.35 -164.66 11.81 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.78 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.0 Cg_endo -75.08 -168.74 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.561 1.822 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -88.73 -36.92 15.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.651 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.31 -77.86 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.651 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.7 t70 140.87 159.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.011 HD13 ' O ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -112.08 77.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.24 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.472 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -72.87 -9.63 58.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 110.346 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 4.8 m-85 -131.96 89.95 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.973 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -92.52 168.49 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.778 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 15.7 m-85 -120.85 148.67 43.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.824 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.9 t -164.95 -166.18 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.448 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.609 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -107.08 147.84 35.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.049 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -157.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.02 -170.81 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.945 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.67 52.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 58.77 98.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.511 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -104.62 -34.82 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.631 ' O ' ' HA ' ' A' ' 99' ' ' THR . 67.3 m -134.02 21.39 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.257 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.682 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -158.37 -157.79 8.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.935 HG23 HD12 ' A' ' 104' ' ' ILE . 91.3 t -113.5 1.72 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.63 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 30.07 82.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.96 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.11 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.94 134.11 46.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.61 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -119.78 -8.7 9.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.73 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.9 t 73.92 -13.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -80.08 -9.15 86.97 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.498 1.123 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.509 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -129.91 -32.02 0.57 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.543 ' HZ1' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -96.41 -100.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 0.789 . . . . 0.0 109.25 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 164.86 -57.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -167.1 166.5 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.337 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.141 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.5 p90 -151.14 152.56 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.765 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.1 3.11 36.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.141 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.83 101.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.06 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.39 108.35 10.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.03 179.15 19.61 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.73 -32.65 14.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 0.813 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.65 174.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.527 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.3 tp10 -136.45 -42.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -155.0 -135.23 2.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.065 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 1.011 ' O ' HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -113.59 -38.81 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 59' ' ' ASP . . . -106.33 14.39 43.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.796 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -172.46 132.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' MET . . . . . 1.001 ' CG ' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -134.44 -170.74 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -122.26 130.25 53.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.973 HD13 HG21 ' A' ' 63' ' ' ILE . 6.3 pt -142.74 131.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.677 ' O ' HD11 ' A' ' 104' ' ' ILE . 7.0 p -131.43 163.82 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.509 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -62.97 -28.29 69.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -28.95 49.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.439 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 24.2 t0 -80.71 170.2 16.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.06 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.35 117.79 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.935 HD12 HG23 ' A' ' 74' ' ' VAL . 6.5 pt -165.65 134.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.696 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.57 157.69 32.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.597 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.95 7.48 2.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.59 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 7.2 t90 75.49 -60.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 107.96 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.645 ' O ' HG23 ' A' ' 109' ' ' THR . 38.2 t0 -69.33 52.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.153 . . . . 0.0 109.219 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.2 p -159.08 -56.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.942 HD22 ' HB3' ' A' ' 114' ' ' GLN . 54.9 mt 10.98 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 147.23 -41.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.939 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.5 -64.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.795 HG22 ' O ' ' A' ' 8' ' ' PRO . 4.3 m -49.62 -27.33 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.942 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.7 mp0 -82.8 -33.17 27.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.599 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -73.29 -41.95 63.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.576 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -61.81 -19.83 62.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.636 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.37 -11.35 35.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.058 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 47.7 mt -72.77 -29.34 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.6 p30 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.507 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.8 p -103.2 107.31 55.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.061 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 125.85 9.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.782 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.776 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -152.34 -133.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.776 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.5 p80 40.94 86.22 0.14 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.557 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.591 ' O ' HG22 ' A' ' 113' ' ' THR . 18.5 Cg_endo -74.99 0.31 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.59 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -136.04 -43.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.466 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -62.49 -7.37 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.371 1.044 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.811 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.39 -34.98 25.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.228 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.865 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -90.54 5.04 49.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.5 m -114.35 -8.77 12.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.337 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.11 -39.58 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.583 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.08 172.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.98 16.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.691 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 12.5 p -165.77 83.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.033 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -97.15 118.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.703 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -143.78 124.86 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.665 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.7 mtm180 -76.97 38.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.911 HG21 HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.05 173.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HG2' HG22 ' A' ' 50' ' ' ILE . 15.1 ptmt -126.51 119.94 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.847 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.77 97.95 10.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.589 ' CG1' HG11 ' A' ' 78' ' ' VAL . 5.4 m -101.23 -36.14 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.509 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.0 t -112.39 162.29 15.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.3 mp0 -149.6 -179.33 7.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.624 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.0 ttpt -146.53 111.56 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.736 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.3 tt0 -74.08 92.11 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.485 HG13 ' HG2' ' A' ' 27' ' ' LYS . 33.6 m -107.13 118.0 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 1.4 m-20 -67.32 153.31 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.559 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.8 t -135.62 24.93 3.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.44 179.76 35.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.4 m120 -84.34 164.11 19.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.6 t70 -95.09 -161.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.784 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.75 0.88 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -108.73 -1.57 19.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.46 -8.39 79.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.524 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.5 p-10 -78.24 152.31 78.94 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.01 129.66 12.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.559 HD12 ' O ' ' A' ' 31' ' ' SER . 62.5 mt -67.12 -87.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.373 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 20.2 ttmm 75.24 128.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -132.21 65.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.998 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -36.23 144.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.782 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.7 mm100 -87.57 178.87 6.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.972 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.73 67.02 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.509 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.6 tt0 -62.23 70.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.911 HD12 HG21 ' A' ' 21' ' ' THR . 3.1 pt -67.34 -175.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.429 1.081 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.6 ttpt -122.0 -1.75 9.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.469 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.34 119.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.577 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -127.74 -31.74 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.481 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.81 167.82 25.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.363 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.598 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.7 68.19 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.062 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.1 m-85 -37.98 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.639 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -128.36 66.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.83 -158.77 10.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.487 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.02 -177.76 3.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.482 1.78 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.52 -34.44 25.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.3 -78.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.9 t70 152.31 171.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.69 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.6 mm -97.95 -71.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.592 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.95 -8.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.225 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.555 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.6 m-85 -146.48 99.2 3.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.082 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -107.54 168.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.782 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.0 m-85 -123.39 149.49 44.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.82 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.2 t -164.63 -166.26 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.36 150.43 38.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.998 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.97 -159.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.4 OUTLIER 57.87 -168.59 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.032 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -69.6 53.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.519 ' HB2' ' C ' ' A' ' 74' ' ' VAL . . . 53.31 99.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.574 ' CG2' ' N ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -103.05 -55.84 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.735 ' O ' HG22 ' A' ' 99' ' ' THR . 79.8 m -104.19 11.09 35.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.271 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.57 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.84 -150.55 5.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.604 1.19 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.855 HG23 ' CD1' ' A' ' 104' ' ' ILE . 75.8 t -120.45 0.51 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.517 ' C ' ' O ' ' A' ' 74' ' ' VAL . 6.3 p 28.88 82.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.12 . . . . 0.0 109.939 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.986 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.57 132.33 49.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 80' ' ' GLY . 2.7 p30 -108.86 -8.95 15.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 82' ' ' LYS . 3.0 t 70.27 -52.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -48.44 -13.86 0.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -119.12 -29.66 1.75 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.525 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.23 -92.98 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.817 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.58 -86.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 8.0 mp0 -150.04 147.0 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.242 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.165 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.8 p90 -124.37 154.97 39.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.597 1.185 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.745 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.76 2.94 39.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.165 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.69 102.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.04 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.05 109.24 11.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.576 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.27 175.25 24.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -42.27 -37.82 1.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 0.746 . . . . 0.0 109.25 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.691 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 84.05 174.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.529 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.5 tp10 -134.99 9.02 3.52 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 125.1 -122.06 4.52 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.567 1.167 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 2.6 m-20 -130.15 144.75 51.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.58 -2.73 62.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.69 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.36 144.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.703 ' HE3' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -147.91 -169.57 3.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.37 128.28 44.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.082 HD13 HG21 ' A' ' 63' ' ' ILE . 2.2 pt -139.8 144.22 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -143.91 167.48 22.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.692 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -61.8 -49.34 76.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.651 ' H ' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -61.83 -18.44 60.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.38 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.428 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.0 t0 -89.63 166.6 13.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.04 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -70.28 115.83 9.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.855 ' CD1' HG23 ' A' ' 74' ' ' VAL . 7.2 pt -164.78 130.0 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.682 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -151.04 157.28 35.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.585 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.05 10.9 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.525 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 13.2 t90 71.05 -59.31 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 108.065 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 109' ' ' THR . 32.0 t0 -68.85 51.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.692 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.6 p -159.07 -54.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.002 HD22 ' HB3' ' A' ' 114' ' ' GLN . 38.9 mt 6.74 -107.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 147.06 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.5 -64.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 8' ' ' PRO . 1.6 m -49.45 -23.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.002 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.7 mp0 -86.37 -36.1 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.246 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.644 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.3 mtmt -70.41 -42.06 72.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.59 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.11 -18.87 62.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.64 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.81 -13.14 27.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.062 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 40.6 mt -69.32 -30.03 67.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.5 p30 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.477 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 60.0 p -83.79 113.12 45.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.3 Cg_endo -74.99 96.3 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.441 1.759 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.722 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.0 p -119.04 -132.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.722 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.57 85.68 0.15 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.642 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -16.99 19.77 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.544 1.813 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.653 HE22 ' HD3' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -121.44 -41.69 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.0 mt-30 -64.14 -6.03 5.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.192 . . . . 0.0 110.328 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.47 -38.28 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.899 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -87.93 -0.75 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.1 m -107.31 -13.87 15.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -99.0 -40.61 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.556 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.78 171.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.32 14.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.922 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 2.7 p -164.59 87.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.055 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -99.07 118.89 46.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.589 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -145.76 125.8 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.404 1.065 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.701 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.2 ttp180 -76.67 41.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.782 HG21 HD12 ' A' ' 47' ' ' ILE . 2.1 t -62.39 169.98 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.533 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.0 ptmt -125.32 119.81 29.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.857 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.14 103.13 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.944 HG12 HG11 ' A' ' 78' ' ' VAL . 3.4 m -106.12 -38.68 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -113.44 160.91 17.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.923 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.4 mp0 -144.79 -176.52 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.341 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.5 ttpt -152.85 114.41 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.462 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.6 tt0 -74.15 91.65 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.568 HG13 ' HG2' ' A' ' 27' ' ' LYS . 5.6 m -97.64 94.09 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.516 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -44.85 144.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.669 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -132.56 18.9 4.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.014 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.03 -175.03 28.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.3 m-80 -84.63 166.57 16.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.9 t0 -96.16 -162.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.791 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.71 0.86 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.84 -0.46 19.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.58 -7.9 79.32 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.524 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.4 p-10 -78.7 153.51 78.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.05 129.25 12.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.55 1.816 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.669 HG21 ' OG ' ' A' ' 31' ' ' SER . 46.0 mt -70.27 -83.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.551 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.05 123.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.459 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -129.18 66.95 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.0 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -39.21 147.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.802 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.0 mm100 -90.06 179.13 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.918 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -135.62 70.57 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.505 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 7.7 tt0 -64.79 67.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.857 HG22 ' CA ' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -63.25 -166.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.631 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -133.98 8.72 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.631 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER 47.57 117.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.562 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -123.72 -31.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -150.65 168.75 23.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.621 ' HE2' ' H ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -146.87 65.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.388 1.055 . . . . 0.0 110.968 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.633 ' CE2' HD21 ' A' ' 118' ' ' LEU . 24.7 m-85 -42.59 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.608 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -124.8 70.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.621 ' H ' ' HE2' ' A' ' 52' ' ' MET . . . -124.75 -154.25 8.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.09 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.02 -170.01 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.445 1.761 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.04 -35.5 15.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -86.2 -78.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.498 ' CG ' ' N ' ' A' ' 60' ' ' ILE . 4.0 t70 156.64 171.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.616 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.2 mm -98.22 -72.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.595 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 74.53 -9.58 1.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -146.87 97.17 2.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.03 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -105.69 167.1 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.802 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 5.4 m-85 -121.22 149.99 42.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.827 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.0 t -165.67 -161.82 0.53 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.358 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.576 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -107.8 152.64 41.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.0 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.93 -161.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.679 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 22.6 t -81.75 32.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 84.54 95.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.614 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -104.67 -35.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.672 ' O ' HG22 ' A' ' 99' ' ' THR . 17.8 m -127.27 9.67 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.652 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -149.73 -152.12 5.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.907 HG23 HD12 ' A' ' 104' ' ' ILE . 87.8 t -115.36 -0.25 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.644 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 32.47 84.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.056 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.165 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.45 137.12 42.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.476 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 1.1 p30 -124.21 0.08 8.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.42 1.075 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.053 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.4 t 70.58 -57.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.16 -12.86 0.89 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.561 1.163 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.475 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.73 -29.27 2.08 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.574 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -112.3 -94.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.053 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.71 -83.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.4 mp0 -146.75 159.28 43.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.165 ' CE2' HD13 ' A' ' 76' ' ' LEU . 3.1 p90 -145.07 151.33 38.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.796 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -81.39 4.43 20.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.131 HD13 ' CD1' ' A' ' 84' ' ' TYR . 0.6 OUTLIER 9.99 101.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.055 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -129.74 103.9 7.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -158.63 161.76 32.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -34.43 97.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.922 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -62.6 176.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.505 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 16.7 tp10 -126.78 8.54 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.5 -115.76 1.99 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -137.66 140.24 40.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 80.1 -0.59 83.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.06 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.616 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.01 145.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.694 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -149.97 -168.04 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -129.0 129.57 45.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.03 HD13 HG21 ' A' ' 63' ' ' ILE . 3.4 pt -140.74 149.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.3 OUTLIER -147.87 164.92 32.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.433 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -60.31 -48.41 81.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.53 ' H ' HD23 ' A' ' 100' ' ' LEU . 4.3 t -61.45 -24.56 66.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 108.253 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.417 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.4 t0 -82.18 167.85 18.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.031 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.14 117.09 12.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.907 HD12 HG23 ' A' ' 74' ' ' VAL . 6.2 pt -165.03 132.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.625 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.89 157.87 32.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.573 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 5.72 3.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.426 1.751 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.701 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 5.6 t90 76.99 -58.14 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 109' ' ' THR . 8.7 t0 -69.84 51.12 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.7 p -159.01 -55.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.349 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.99 HD22 ' HB3' ' A' ' 114' ' ' GLN . 48.7 mt 10.71 -107.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.79 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.595 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.12 -65.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.49 ' N ' HG22 ' A' ' 112' ' ' THR . 30.5 m -49.84 -28.89 7.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.99 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.6 mp0 -81.26 -31.14 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.576 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -73.7 -43.22 59.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.653 ' HD3' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.33 -22.47 66.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.673 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -90.65 -19.65 23.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.633 HD21 ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -66.83 -29.54 69.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.381 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.5 p30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.369 179.939 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 5.1 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.453 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 77.9 p -97.98 110.19 54.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.04 11.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.767 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.8 p -155.54 -133.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.767 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.4 p80 40.4 87.84 0.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.524 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.93 -2.94 13.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.568 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.9 OUTLIER -133.65 -44.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -60.42 -8.55 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.809 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.53 -34.07 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.863 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -89.68 7.59 35.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.69 -13.06 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.317 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.91 -34.34 10.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.375 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.638 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -59.52 172.42 0.68 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 88' ' ' GLY . 15.3 m-20 -151.72 14.85 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.791 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 5.5 p -166.53 85.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.932 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.58 118.19 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.607 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -142.26 126.53 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.695 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.5 mtm180 -78.39 38.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.976 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.71 165.99 4.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 14.6 ptmt -120.23 121.65 39.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.831 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.75 101.17 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.728 ' CG1' HG11 ' A' ' 78' ' ' VAL . 6.7 m -104.79 -36.08 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.527 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -113.65 160.56 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -148.52 -176.33 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.1 ttpt -153.74 113.95 3.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.555 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 0.4 OUTLIER -75.12 96.11 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.338 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.561 HG13 ' HG2' ' A' ' 27' ' ' LYS . 9.6 m -103.26 80.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -44.55 140.19 2.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.552 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.9 t -126.09 32.33 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 58.28 -170.91 4.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.57 1.169 . . . . 0.0 110.955 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.513 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.9 m120 -84.31 165.49 18.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.62 -162.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.766 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.7 1.24 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -108.6 -1.12 19.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.05 -8.42 78.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.513 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.7 p-10 -78.15 152.69 79.46 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.5 Cg_endo -74.96 129.86 12.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.445 1.761 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 31' ' ' SER . 37.9 mt -74.71 -94.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.499 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 14.7 ttmt 72.13 120.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.252 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.458 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 1.2 ptt180 -124.53 67.47 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.555 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 1.3 mp -38.89 148.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.81 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.1 mm100 -89.69 177.6 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.959 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.26 68.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.527 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.0 tt0 -63.4 68.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.976 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.9 pt -66.87 -174.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.588 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -121.94 9.31 9.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.588 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.9 mm100 37.94 102.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.502 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -111.46 -34.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.489 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -143.7 161.59 38.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.346 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.479 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -143.07 71.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 111.04 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.964 ' CE2' HD22 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -37.64 -78.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.922 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -128.82 70.42 1.39 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.42 -164.8 13.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.721 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.97 -174.81 2.07 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.565 1.824 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.48 -33.17 15.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.623 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -72.35 -78.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.623 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.9 t70 146.57 165.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.646 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -107.89 -79.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 74.27 -10.2 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.7 m-85 -140.95 93.77 2.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.038 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -101.21 168.21 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.81 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.7 m-85 -123.34 151.65 42.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.921 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 10.0 t -166.97 -164.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.08 . . . . 0.0 110.465 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.591 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -110.77 149.28 40.13 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.499 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.06 -159.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER 58.68 -171.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.03 -179.939 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -68.8 54.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.719 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 54.62 95.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.603 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -101.81 -37.53 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.795 ' O ' HG22 ' A' ' 99' ' ' THR . 10.6 m -127.42 16.13 7.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 108.274 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.719 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -156.77 -151.29 5.93 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.985 HG23 HD12 ' A' ' 104' ' ' ILE . 88.6 t -118.95 4.32 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 74' ' ' VAL . 69.3 p 29.32 81.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.109 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.33 130.68 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.628 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -116.94 -10.22 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.728 HG11 ' CG1' ' A' ' 24' ' ' VAL . 3.5 t 75.0 -12.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -79.65 -9.81 86.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.501 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -131.0 -26.6 0.75 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.532 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -100.88 -99.6 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.741 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.547 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 163.92 -57.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.547 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -168.21 168.97 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.156 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -151.77 152.83 33.22 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.812 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.37 2.68 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.156 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.94 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.01 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.17 110.57 13.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.227 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.464 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.1 -178.82 19.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.694 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.43 -33.66 31.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.791 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 83.48 174.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.516 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.9 tp10 -133.25 4.92 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.81 -121.46 3.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.87 140.92 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 81.04 -2.58 80.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.646 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.96 144.25 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.571 0.807 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.705 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.18 -169.49 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 130.94 51.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.636 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.038 HD13 HG21 ' A' ' 63' ' ' ILE . 6.5 pt -142.7 139.85 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.795 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -141.58 162.75 34.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.387 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.553 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.7 OUTLIER -57.04 -46.88 82.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 4.9 t -61.29 -30.07 70.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 108.291 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.407 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.7 t0 -79.1 167.08 21.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.01 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.29 115.88 9.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 111.028 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.985 HD12 HG23 ' A' ' 74' ' ' VAL . 7.1 pt -164.56 130.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.655 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.34 157.45 39.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.595 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.95 10.74 1.61 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.521 1.801 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.506 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 13.3 t90 71.62 -60.65 0.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 107.935 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.665 ' O ' HG23 ' A' ' 109' ' ' THR . 15.4 t0 -68.41 52.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.686 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.2 p -159.23 -54.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.421 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.037 HD22 ' HB3' ' A' ' 114' ' ' GLN . 60.3 mt 8.48 -107.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 146.1 -41.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.592 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.18 -66.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.524 ' N ' HG22 ' A' ' 112' ' ' THR . 1.2 m -47.78 -25.37 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.037 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.0 mp0 -84.4 -34.67 23.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.998 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -70.24 -41.82 73.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.909 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.568 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.18 -19.39 64.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.595 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -93.9 -4.86 49.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.998 HD12 ' HA ' ' A' ' 115' ' ' LYS . 25.9 mt -86.02 -24.19 26.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.5 p30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 179.99 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.459 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.5 p -100.5 107.12 46.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -74.96 118.06 5.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.716 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.3 p -143.63 -133.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.716 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.3 97.73 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.573 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.477 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.03 -30.97 6.55 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.437 ' NE2' ' HE3' ' A' ' 116' ' ' LYS . 2.8 tp60 -115.49 -34.16 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.482 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.3 OUTLIER -61.61 -12.1 14.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.812 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.45 -35.19 25.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.88 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -90.69 4.31 51.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 m -113.1 -11.6 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -101.65 -40.46 6.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.605 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.79 171.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -151.99 16.42 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.58 1.175 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.824 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 5.3 p -166.0 83.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.978 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -96.74 117.6 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.593 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -141.81 126.94 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.645 ' NH1' ' CZ2' ' A' ' 107' ' ' TRP . 7.4 mtm180 -79.55 40.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.942 HG21 HD12 ' A' ' 47' ' ' ILE . 2.4 t -60.36 175.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HG2' HG22 ' A' ' 50' ' ' ILE . 15.0 ptmt -128.53 119.74 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.798 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.53 108.26 20.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.798 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.4 m -111.7 -37.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 4.0 t -112.28 164.58 13.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.1 mp0 -147.96 -172.49 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.66 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.7 ttpt -153.24 118.79 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' C ' ' HZ2' ' A' ' 41' ' ' LYS . 5.2 tt0 -79.77 93.0 5.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.602 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 35.5 m -106.88 91.43 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.04 136.01 19.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.579 1.174 . . . . 0.0 109.237 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' HD12 ' A' ' 40' ' ' ILE . 4.7 t -116.9 36.47 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 48.17 -169.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.564 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.1 m-20 -84.86 164.77 18.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 0.739 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 2.6 t70 -97.21 -160.85 0.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -79.86 1.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -105.76 -3.04 22.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.05 -6.17 83.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.564 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 15.5 p-10 -85.47 154.41 59.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.535 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.97 129.65 12.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.777 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 31' ' ' SER . 95.2 mt -71.69 -81.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 1.022 ' HZ3' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER 72.06 120.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.541 ' N ' ' HE2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -137.24 80.48 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 110.294 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.022 HD12 ' HZ3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -53.02 153.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.944 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.735 ' NE2' ' CE2' ' A' ' 64' ' ' TYR . 5.6 mm100 -89.54 178.94 6.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 110.23 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 1.115 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.74 67.42 1.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.7 tt0 -62.65 71.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.942 HD12 HG21 ' A' ' 21' ' ' THR . 2.8 pt -67.58 -175.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.6 OUTLIER -123.07 -1.07 8.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.514 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.2 125.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.578 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -133.87 -32.8 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.68 167.41 26.51 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.447 1.092 . . . . 0.0 109.197 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -146.61 68.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.102 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -37.8 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.658 ' HB3' HG23 ' A' ' 18' ' ' VAL . 9.6 tptp -127.27 65.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.2 -159.21 10.79 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.06 178.65 6.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.612 1.849 . . . . 0.0 111.034 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.87 -33.87 34.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.52 -80.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.8 t70 153.43 171.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.631 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.5 mm -98.89 -72.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.562 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 73.7 -7.97 1.48 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -146.75 96.36 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.057 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.32 169.91 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.735 ' CE2' ' NE2' ' A' ' 44' ' ' GLN . 7.6 m-85 -122.55 157.96 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.055 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' THR . . . . . 1.115 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.0 t -175.12 -160.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.682 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -109.13 147.95 36.97 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.946 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.95 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.35 -168.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.952 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.9 p -70.6 51.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.584 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 58.12 107.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.544 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -113.91 -38.52 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.684 ' HA ' HD22 ' A' ' 100' ' ' LEU . 11.2 m -124.14 12.84 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.554 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.74 -151.38 5.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.916 HG23 HD12 ' A' ' 104' ' ' ILE . 92.4 t -115.34 -0.42 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.584 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 18.6 p 34.61 88.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.005 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -110.48 134.93 51.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.495 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -125.4 1.84 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.054 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.6 t 71.16 -57.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.13 -8.76 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -119.88 -19.45 4.04 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.498 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -126.56 -94.03 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 0.781 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.054 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.07 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.2 mp0 -145.78 146.66 31.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.152 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -128.29 154.6 45.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.765 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.7 2.6 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.152 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.77 102.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.94 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.065 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.84 110.61 13.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.602 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.44 -179.37 19.25 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.516 1.135 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.9 tttm -56.43 -22.85 34.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 0.733 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.824 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 76.36 177.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.539 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.7 tp10 -135.61 -42.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.593 ' O ' ' C ' ' A' ' 93' ' ' ASP . . . 165.78 126.12 0.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.593 ' C ' ' O ' ' A' ' 92' ' ' GLY . 1.4 m-20 -24.49 133.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.75 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 87.05 -6.09 83.96 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.558 1.161 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.631 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -174.19 143.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 0.801 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.692 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.85 -170.08 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 129.59 45.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.533 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.057 HD13 HG21 ' A' ' 63' ' ' ILE . 4.4 pt -140.71 141.83 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.583 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.8 OUTLIER -139.86 163.41 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.461 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.684 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -57.78 -43.34 85.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.615 1.197 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -64.47 -33.11 75.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 108.301 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.458 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 6.2 t0 -74.52 166.96 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.065 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.48 117.81 12.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.916 HD12 HG23 ' A' ' 74' ' ' VAL . 6.4 pt -164.88 134.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.632 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.09 156.98 31.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.588 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -74.96 11.1 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.047 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.645 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 11.8 t90 71.13 -59.77 0.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 108.048 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.662 ' O ' HG23 ' A' ' 109' ' ' THR . 25.6 t0 -68.64 51.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.693 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.1 p -159.09 -52.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.045 HD22 ' HB3' ' A' ' 114' ' ' GLN . 43.1 mt 6.93 -106.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.65 -41.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.617 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.25 -60.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.607 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 44.8 m -53.13 -23.58 8.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.045 ' HB3' HD22 ' A' ' 110' ' ' LEU . 2.8 mp0 -86.35 -36.57 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.631 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.2 mtmt -69.07 -40.04 78.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.223 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.607 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 1.1 pttt -63.14 -17.35 62.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.639 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.92 -14.26 24.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.102 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 48.0 mt -69.71 -29.7 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.1 p30 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.956 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.624 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.2 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.47 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 87.3 p -99.68 116.44 64.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.481 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.98 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.744 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.0 p -133.31 -133.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.744 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.6 p80 39.26 84.31 0.18 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.569 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 1.83 7.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.591 1.837 . . . . 0.0 110.946 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.552 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -136.05 -43.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.46 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -63.91 -7.63 8.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.279 -179.942 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.781 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.4 -34.75 28.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.89 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -90.45 4.88 49.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -113.71 -12.33 12.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 108.345 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.79 -38.94 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.56 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.52 169.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.84 13.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.842 HG21 ' SD ' ' A' ' 96' ' ' MET . 13.6 p -166.04 91.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.006 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -101.03 117.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.564 HG13 HG22 ' A' ' 21' ' ' THR . 0.7 OUTLIER -143.24 126.28 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.671 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.4 ttp180 -78.76 39.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.885 ' CG2' HD12 ' A' ' 47' ' ' ILE . 1.3 t -61.21 175.16 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.552 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.7 ptmt -129.16 118.86 23.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.899 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.05 104.65 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.693 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.8 m -107.54 -34.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.239 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -117.49 167.22 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.954 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -150.78 -179.72 7.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.639 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.6 ttpt -146.63 111.07 5.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.455 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 10.5 tt0 -73.77 90.02 1.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.165 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.532 HG23 ' HG3' ' A' ' 42' ' ' ARG . 33.7 m -103.6 124.81 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.82 161.46 23.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.452 ' HB3' HG22 ' A' ' 40' ' ' ILE . 9.8 t -147.92 18.29 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 79.17 176.28 48.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.539 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 6.5 m-20 -84.61 162.6 19.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.8 t70 -93.56 -162.55 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.765 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.0 0.99 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -108.08 -1.07 20.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.38 -8.16 78.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.539 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.4 p-10 -79.3 153.64 76.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.92 130.58 13.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 31' ' ' SER . 26.4 mt -64.12 -80.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.633 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.8 tppt? 72.27 125.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.532 ' HG3' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -129.81 64.13 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.994 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -35.55 141.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.639 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.5 mm100 -85.22 -179.51 7.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.942 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.35 67.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.9 tt0 -62.53 70.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.899 HG22 ' CA ' ' A' ' 23' ' ' ALA . 2.5 pt -67.12 -168.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -128.81 0.92 5.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.513 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 55.12 121.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.646 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -128.74 -30.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.418 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 1.5 tttt -150.59 166.59 29.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.461 ' HG3' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.44 60.91 1.22 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.459 1.1 . . . . 0.0 111.063 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.531 ' CE2' HD21 ' A' ' 118' ' ' LEU . 20.7 m-85 -37.39 -82.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.635 ' HB3' HG23 ' A' ' 18' ' ' VAL . 14.7 tptt -120.71 68.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -125.61 -159.13 10.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.686 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.03 -173.7 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.36 -33.95 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.22 -80.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.3 t70 152.78 169.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.609 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.4 mm -103.33 -73.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 74.51 -8.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.607 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -148.74 94.03 2.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.384 1.053 . . . . 0.0 110.952 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.055 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -99.78 170.2 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.597 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -121.38 148.63 44.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.072 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.807 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.2 t -163.41 -164.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.58 ' HB1' HG22 ' A' ' 71' ' ' VAL . . . -105.72 150.93 39.7 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.994 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.94 -158.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.48 -159.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.939 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.751 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 61.2 p -81.74 24.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 91.9 95.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.58 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -101.32 -38.03 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.808 ' O ' HG22 ' A' ' 99' ' ' THR . 0.1 OUTLIER -131.49 23.98 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 108.324 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.557 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -157.92 -157.24 8.33 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.904 HG23 HD12 ' A' ' 104' ' ' ILE . 88.0 t -116.35 0.46 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 0.8 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 74' ' ' VAL . 53.2 p 32.3 81.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 109.959 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.087 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.19 132.31 48.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.552 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -118.76 -7.24 10.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 23' ' ' ALA . 4.1 t 71.38 -9.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -84.4 -6.55 85.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.512 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -134.18 -31.17 0.38 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.565 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -95.45 -100.89 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.486 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 165.98 -64.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.554 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -161.37 163.98 30.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.138 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.5 p90 -149.96 151.09 32.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.812 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -82.43 2.76 31.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.138 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.97 98.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.04 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -124.83 106.28 9.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.444 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -139.36 176.12 21.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.674 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.64 -29.74 7.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 81.69 179.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.637 ' OE1' ' CD2' ' A' ' 97' ' ' HIS . 5.3 tp10 -132.89 -37.59 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.0 -133.89 2.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -113.05 133.79 54.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.94 -9.4 60.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.607 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -164.92 143.97 6.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.842 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -140.97 -160.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.079 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.637 ' CD2' ' OE1' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -136.82 125.91 24.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.055 HD13 HG21 ' A' ' 63' ' ' ILE . 2.1 pt -140.28 146.89 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -147.25 165.11 31.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.084 . . . . 0.0 110.38 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -59.26 -49.13 79.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.466 ' H ' HD23 ' A' ' 100' ' ' LEU . 3.3 t -60.33 -23.93 64.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 108.257 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.468 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.6 t0 -84.41 168.75 15.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.04 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -71.99 114.05 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.904 HD12 HG23 ' A' ' 74' ' ' VAL . 7.5 pt -163.15 132.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.595 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -152.75 157.72 33.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.372 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.583 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.6 Cg_endo -74.9 7.11 2.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.812 ' HD1' HD12 ' A' ' 85' ' ' LEU . 1.7 t90 74.91 -57.99 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.607 ' O ' HG23 ' A' ' 109' ' ' THR . 8.7 t70 -69.37 51.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.893 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.2 p -158.71 -56.82 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.404 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.014 HD22 ' HB3' ' A' ' 114' ' ' GLN . 52.9 mt 12.29 -106.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.665 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 144.61 -41.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.605 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.41 -63.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.337 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 23.4 m -51.53 -25.96 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.014 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.9 mp0 -83.51 -33.27 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.641 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -72.8 -42.64 63.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.552 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.08 -21.21 66.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.4 -13.83 27.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.968 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.531 HD21 ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -73.42 -26.36 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.613 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.0 p -106.27 124.16 36.68 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.955 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.439 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.97 96.31 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.735 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.1 p -120.85 -132.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.735 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.0 OUTLIER 37.86 84.2 0.19 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 3.36 5.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.553 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -139.39 -44.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 110.244 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.6 mt-30 -64.12 -6.18 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.801 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.2 -37.45 23.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.918 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -87.84 -0.66 57.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.8 m -108.42 -12.34 15.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.296 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -100.13 -39.04 8.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.347 179.933 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.601 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.44 175.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -157.76 18.74 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.785 HG23 ' HD3' ' A' ' 56' ' ' PRO . 12.1 p -167.36 78.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.93 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -92.82 120.11 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.651 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.08 124.21 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.5 tmm_? -77.46 41.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.899 ' CG2' HD12 ' A' ' 47' ' ' ILE . 1.4 t -63.54 173.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.419 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.515 ' HE2' ' CG1' ' A' ' 24' ' ' VAL . 17.3 ptmt -126.29 117.54 23.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.912 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.77 97.62 10.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.566 ' CG1' HG11 ' A' ' 78' ' ' VAL . 16.2 m -102.91 -36.64 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.479 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 11.1 t -112.35 157.56 20.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -142.33 -173.66 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.39 1.056 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.4 ttpt -154.87 123.87 6.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 17.5 tt0 -81.18 97.73 7.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.523 HG13 ' HG2' ' A' ' 27' ' ' LYS . 6.5 m -106.15 104.47 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.495 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -53.42 149.55 7.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.669 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -137.83 20.53 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.999 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.6 -177.16 22.73 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.5 m120 -83.86 165.89 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -95.53 -161.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.779 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.16 0.68 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -108.61 -1.12 19.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.33 -8.67 78.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.529 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.22 153.9 79.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.07 129.08 11.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.669 HG21 ' OG ' ' A' ' 31' ' ' SER . 45.5 mt -68.89 -82.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.52 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.23 122.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 1.1 ptt180 -130.45 69.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.819 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -39.61 156.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.804 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.4 mm100 -96.21 -177.69 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.868 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.91 67.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 11.0 tt0 -62.9 68.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.912 HG22 ' CA ' ' A' ' 23' ' ' ALA . 2.4 pt -67.75 -170.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.521 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -125.52 0.97 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.521 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.8 mm100 47.94 106.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 110.258 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.552 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -115.31 -34.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.46 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -141.43 158.69 43.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.471 ' CG ' HG22 ' A' ' 19' ' ' ILE . 26.5 ttm -141.26 70.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.062 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.72 ' CE1' HD22 ' A' ' 118' ' ' LEU . 22.6 m-85 -42.27 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 111.054 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.06 77.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.23 -161.8 11.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.785 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.01 -170.49 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -94.39 -33.98 12.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.377 1.048 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -75.76 -82.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.611 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.0 t70 154.71 166.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.592 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -106.06 -79.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.493 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 72.37 -7.28 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.555 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -144.68 93.97 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.009 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -101.33 169.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.804 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 11.3 m-85 -121.39 154.31 36.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.825 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.0 t -175.14 -168.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.406 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -87.95 154.32 52.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.819 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.13 -62.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.549 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -39.69 167.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.031 179.943 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.747 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 20.5 t -35.11 -36.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 156.99 94.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.604 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -102.32 -35.66 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.791 ' O ' HG22 ' A' ' 99' ' ' THR . 29.4 m -131.36 20.2 4.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.588 1.18 . . . . 0.0 108.348 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.74 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -161.06 -154.25 7.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.443 1.09 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.859 HG23 ' CD1' ' A' ' 104' ' ' ILE . 90.6 t -118.78 -7.25 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.58 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 34.37 84.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.967 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.1 131.69 51.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.559 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 3.1 p30 -104.69 -12.23 16.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 82' ' ' LYS . 3.6 t 72.54 -43.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -55.76 -10.12 3.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -124.74 -25.36 1.57 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.486 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -105.83 -92.84 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.797 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.737 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.13 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.936 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.565 ' O ' ' O ' ' A' ' 106' ' ' PRO . 11.7 mp0 -151.16 149.63 29.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.155 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -127.5 154.78 44.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.72 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -85.29 4.11 36.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.155 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.18 103.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.018 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.07 110.18 11.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.659 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.11 170.3 26.57 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.419 1.074 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.683 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -39.73 -35.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.344 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.48 176.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.546 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.7 tp10 -135.24 6.71 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.31 -123.69 4.67 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.35 144.81 51.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.485 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.54 -4.59 59.52 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.592 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.38 146.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.34 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.702 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.46 -167.85 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -127.93 127.55 43.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.628 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.009 HD13 HG21 ' A' ' 63' ' ' ILE . 3.8 pt -140.25 134.76 35.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -134.94 168.74 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.384 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.613 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -62.75 -44.45 96.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.441 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -64.32 -25.59 68.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 108.339 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.433 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.8 t0 -81.61 170.26 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.018 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -74.32 117.93 16.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.859 ' CD1' HG23 ' A' ' 74' ' ' VAL . 6.6 pt -164.5 134.03 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.618 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.69 157.13 32.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.6 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 10.82 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.51 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.5 t90 72.02 -59.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 109' ' ' THR . 46.3 t0 -69.32 52.39 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.7 p -158.97 -55.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.383 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.993 HD22 ' HB3' ' A' ' 114' ' ' GLN . 44.5 mt 10.09 -106.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.26 -41.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.599 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.6 -63.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.437 ' N ' HG22 ' A' ' 112' ' ' THR . 43.7 m -51.79 -25.05 6.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.993 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.7 mp0 -84.59 -33.09 23.44 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.76 ' HA ' HD12 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -72.96 -41.85 63.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.553 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.41 -20.8 65.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.608 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.47 -18.86 25.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 115' ' ' LYS . 0.4 OUTLIER -69.77 -28.38 65.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.407 1.067 . . . . 0.0 109.342 179.92 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 116' ' ' LYS . 1.4 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.745 ' O ' HD11 ' A' ' 100' ' ' LEU . 3.7 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -120.88 123.95 27.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.958 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 121.53 6.62 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.737 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.2 p -142.8 -133.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.737 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.0 OUTLIER 34.32 88.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 5.56 3.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.605 ' HB2' HG22 ' A' ' 113' ' ' THR . 0.9 OUTLIER -142.99 -46.18 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.496 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -59.38 -9.63 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 110.344 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.826 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.55 -33.44 28.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.855 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -90.96 6.59 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -115.84 -9.53 11.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 108.296 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.29 -38.97 6.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.645 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -51.97 171.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.392 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.44 14.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.783 HG21 ' SD ' ' A' ' 96' ' ' MET . 10.8 p -166.67 84.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.031 HG13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.56 121.11 46.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.542 HD11 ' HE2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -145.86 125.36 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.676 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.2 ttp180 -77.54 38.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.857 HG21 HD12 ' A' ' 47' ' ' ILE . 2.0 t -60.23 178.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.513 ' HG2' HG22 ' A' ' 50' ' ' ILE . 13.9 ptmt -132.65 118.88 19.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.849 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.52 106.8 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.847 HG12 HG11 ' A' ' 78' ' ' VAL . 2.3 m -109.05 -35.31 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.502 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.95 168.05 10.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.0 mp0 -151.87 174.66 13.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.662 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.0 ttpt -139.18 111.8 7.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.619 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.2 tt0 -73.9 93.92 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.511 HG13 ' HG2' ' A' ' 27' ' ' LYS . 34.7 m -108.71 112.75 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.664 ' CG ' ' HZ3' ' A' ' 41' ' ' LYS . 2.2 m-20 -61.82 155.42 23.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.526 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.8 t -139.51 21.29 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.01 -178.87 36.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.523 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.2 m120 -84.75 162.47 19.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 0.784 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.5 t0 -93.79 -162.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.767 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -80.34 0.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -107.88 -1.87 20.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.26 -8.74 77.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.523 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.7 p-10 -78.79 153.29 78.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.06 130.08 12.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.45 1.763 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 31' ' ' SER . 67.0 mt -68.91 -82.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.664 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 20.9 ttmm 68.44 125.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.475 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -129.01 71.81 1.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.048 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -43.5 143.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.662 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.2 mm100 -86.14 -179.74 6.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 1.012 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.68 67.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 15.0 tt0 -61.64 71.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.857 HD12 HG21 ' A' ' 21' ' ' THR . 2.7 pt -68.48 -171.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -126.04 1.14 7.25 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.497 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 53.76 115.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.564 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -126.5 -25.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.497 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -155.87 163.51 39.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.448 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -145.82 69.11 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 111.075 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.104 ' CE2' HD22 ' A' ' 118' ' ' LEU . 2.0 m-85 -38.86 -78.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.8 78.02 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.2 -155.68 7.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.105 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.578 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.02 -174.15 1.83 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.443 1.759 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -93.37 -32.61 14.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -78.25 -79.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 5.0 t70 151.62 169.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.643 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.6 mm -101.85 -73.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.55 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 73.66 -8.16 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.621 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -149.48 96.55 2.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 0.0 111.059 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.965 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -102.12 169.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.925 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.714 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -119.27 153.33 35.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 65' ' ' THR . . . . . 1.012 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 10.1 t -169.89 -159.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -109.88 149.83 40.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.048 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.0 -159.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.797 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.428 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.7 OUTLIER 55.21 -171.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.943 179.961 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 p -70.42 53.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.619 ' HB2' ' OG ' ' A' ' 75' ' ' SER . . . 60.99 100.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.682 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -110.6 -27.29 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.744 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 8.7 m -136.36 10.52 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.586 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.31 -152.4 5.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.122 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.825 HG23 ' CD1' ' A' ' 104' ' ' ILE . 51.4 t -114.22 -2.3 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.368 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.619 ' OG ' ' HB2' ' A' ' 70' ' ' ALA . 88.2 p 36.29 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.982 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -110.91 135.09 51.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.453 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -125.04 2.36 7.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.248 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.92 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 70.09 -55.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -56.58 -11.67 5.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.418 1.074 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.444 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -117.47 -25.5 3.15 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -116.43 -91.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 0.736 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.92 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 161.17 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.553 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -151.73 161.98 41.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.145 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -149.45 152.76 36.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.807 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -83.31 1.51 40.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.145 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 12.05 99.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.031 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -126.02 108.42 11.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.569 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.68 171.01 24.95 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.4 tttm -43.44 -32.68 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 0.812 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.03 179.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.574 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -131.93 -38.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.64 -133.14 2.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -113.51 133.72 55.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.13 -3.43 71.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.621 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -168.61 140.77 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 0.0 109.368 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.783 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -138.9 -159.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.714 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -140.23 125.42 18.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.968 HD12 HG13 ' A' ' 86' ' ' ILE . 1.5 pt -139.94 146.87 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -142.42 165.38 27.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.745 HD11 ' O ' ' A' ' 3' ' ' CYS . 1.1 pt? -58.69 -48.41 81.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.461 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -61.37 -30.17 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.259 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.48 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.1 t0 -75.05 165.37 25.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.409 1.068 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.962 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -69.95 114.53 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.835 HG22 ' HA ' ' A' ' 86' ' ' ILE . 7.0 pt -163.23 128.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.481 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.68 157.45 38.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.568 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 6.6 3.28 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.44 1.758 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.807 ' HD1' HD12 ' A' ' 85' ' ' LEU . 1.7 t90 75.33 -57.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.582 ' O ' HG23 ' A' ' 109' ' ' THR . 38.1 t0 -69.27 50.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.71 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.9 p -158.18 -54.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.022 HD22 ' HB3' ' A' ' 114' ' ' GLN . 39.9 mt 5.02 -106.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.9 m 146.12 -41.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.592 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.37 -65.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.462 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.605 HG22 ' HB2' ' A' ' 9' ' ' GLN . 32.1 m -49.01 -22.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.022 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.5 mp0 -88.08 -34.71 17.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.89 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -71.32 -39.7 71.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.528 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.61 -15.34 57.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.601 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -99.65 -9.0 23.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.104 HD22 ' CE2' ' A' ' 53' ' ' PHE . 3.4 mt -87.8 -27.44 22.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.498 ' OD1' ' O ' ' A' ' 116' ' ' LYS . 1.2 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.403 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.5 p -99.31 110.14 57.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 128.34 11.47 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.529 1.805 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.746 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.5 p -156.17 -133.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.746 ' N ' HG13 ' A' ' 6' ' ' VAL . 2.2 p80 39.01 85.85 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.609 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.61 ' O ' HG22 ' A' ' 113' ' ' THR . 18.3 Cg_endo -74.99 1.29 7.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.55 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -136.13 -45.51 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -60.41 -8.07 2.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 110.308 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.798 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.99 -33.84 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.398 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.854 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -91.38 6.03 46.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -115.69 -8.96 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.88 -40.15 6.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.585 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.66 170.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.53 14.55 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.746 HG21 ' SD ' ' A' ' 96' ' ' MET . 11.3 p -166.33 89.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.996 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -99.88 117.59 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.635 HD12 ' OE1' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -142.2 126.15 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.3 tmm_? -77.82 38.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.977 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.0 t -60.95 167.47 2.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.538 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 16.2 ptmt -122.25 120.73 34.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.872 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.28 102.91 15.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.686 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.9 m -104.77 -36.44 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.518 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.8 169.06 9.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.903 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.459 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -152.96 177.38 10.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.657 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -141.23 112.05 7.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.631 ' HG2' ' HZ2' ' A' ' 41' ' ' LYS . 1.9 tt0 -75.0 91.66 2.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.465 HG13 ' HG2' ' A' ' 27' ' ' LYS . 32.0 m -107.5 129.94 60.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.29 157.29 32.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.452 ' HB3' HG22 ' A' ' 40' ' ' ILE . 3.2 t -140.52 20.82 2.37 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.434 1.084 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.409 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 78.42 177.33 48.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.426 1.078 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.2 m120 -83.98 162.97 20.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 0.818 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.51 -162.43 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.03 0.16 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.38 -0.47 20.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.53 -9.43 73.6 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.518 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.2 p-10 -77.08 152.35 82.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.98 129.76 12.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.426 1.751 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 31' ' ' SER . 50.0 mt -65.43 -85.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.631 ' HZ2' ' HG2' ' A' ' 28' ' ' GLU . 18.3 ttmm 72.98 129.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.569 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -131.8 67.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.992 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -36.81 140.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.657 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.3 mm100 -83.61 -178.8 7.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.92 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.53 70.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.5 tt0 -63.77 67.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.977 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.5 pt -66.47 -171.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.615 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -124.68 8.34 8.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.944 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.635 ' OE1' HD12 ' A' ' 19' ' ' ILE . 10.2 mm100 38.84 105.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.597 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -115.03 -34.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.082 . . . . 0.0 109.358 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -141.34 160.02 40.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.929 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.463 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -143.64 67.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.64 ' CE1' HD22 ' A' ' 118' ' ' LEU . 29.6 m-85 -38.82 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.616 ' HB3' HG23 ' A' ' 18' ' ' VAL . 14.8 tptt -122.64 74.91 1.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.2 -163.73 11.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.738 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.97 -165.36 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.434 1.755 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.9 -34.22 10.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -73.42 -80.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.586 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.8 t70 150.54 163.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.755 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.1 mm -105.8 -80.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.482 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 76.66 -9.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.592 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -143.4 98.43 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.39 1.057 . . . . 0.0 111.056 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.979 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -103.65 170.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -123.28 150.15 43.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.792 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.8 t -163.9 -162.32 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.739 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -106.72 150.77 40.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.992 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.5 m 56.82 -171.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.41 55.79 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.564 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 55.29 97.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.572 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -105.84 -45.82 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.739 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 7.6 m -114.87 15.55 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.604 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.57 -150.13 5.44 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.89 HG23 HD12 ' A' ' 104' ' ' ILE . 87.0 t -118.94 0.81 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.262 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.564 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 4.8 p 31.47 84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.97 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.139 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.48 135.64 45.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.465 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -122.24 2.41 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.686 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.8 t 68.52 -55.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -57.6 -10.17 5.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.456 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.2 -16.97 5.06 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.34 -89.9 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 161.99 -67.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.907 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.546 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -164.79 166.18 20.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.139 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.5 p90 -152.08 151.71 31.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.789 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.77 2.5 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.103 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.66 99.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.041 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -123.53 105.99 10.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.667 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.53 160.1 26.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.724 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 9.1 tttt -36.66 -33.59 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 0.731 . . . . 0.0 109.304 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 87.86 -177.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.544 ' OE1' ' CD2' ' A' ' 97' ' ' HIS . 15.7 tp10 -134.22 -37.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.82 -136.33 3.56 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.65 132.76 54.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 76.79 1.33 71.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -169.9 131.93 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.755 ' CG ' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -131.71 -159.02 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.544 ' CD2' ' OE1' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -142.4 123.38 14.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.016 HD12 HG13 ' A' ' 86' ' ' ILE . 1.7 pt -137.65 147.26 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -144.72 167.15 23.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.404 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.604 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -60.22 -44.9 94.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -31.46 72.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 108.312 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -75.13 166.38 23.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.041 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.91 115.18 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.89 HD12 HG23 ' A' ' 74' ' ' VAL . 7.4 pt -162.53 133.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.667 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -151.64 156.82 34.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.604 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.1 10.03 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.409 1.742 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.418 ' CZ3' ' NH1' ' A' ' 20' ' ' ARG . 9.4 t90 73.12 -59.8 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.682 ' O ' HG23 ' A' ' 109' ' ' THR . 30.5 t70 -70.25 53.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 108' ' ' ASP . 3.9 p -159.63 -56.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.033 HD22 ' HB3' ' A' ' 114' ' ' GLN . 56.6 mt 9.77 -106.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.14 -42.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.585 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.75 -64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.379 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 8' ' ' PRO . 1.3 m -50.17 -26.25 4.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.452 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.033 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.9 mp0 -83.21 -35.2 25.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.614 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.34 -42.33 72.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.55 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.06 -19.63 64.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.618 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.54 -12.61 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.64 HD22 ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -76.82 -23.1 52.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.074 . . . . 0.0 109.336 179.968 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 36.0 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.8 p -65.61 110.04 3.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.468 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.5 Cg_endo -74.96 98.87 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.538 1.81 . . . . 0.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.742 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.2 p -125.66 -132.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.742 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 43.32 82.02 0.24 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.72 11.59 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 111.07 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.562 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.9 OUTLIER -135.01 -44.52 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.48 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -60.58 -8.02 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.361 179.96 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.808 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.86 -34.25 30.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.866 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -91.82 5.58 49.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -115.02 -8.8 12.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 108.265 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.7 OUTLIER -106.62 -39.94 5.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.369 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.56 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.05 171.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.22 15.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.672 HG23 ' HD3' ' A' ' 56' ' ' PRO . 11.1 p -166.0 88.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.032 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.76 117.51 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.909 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.677 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -143.48 125.12 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.679 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.5 mtp180 -77.5 40.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.889 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -60.91 176.0 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.454 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.618 ' HG2' HG22 ' A' ' 50' ' ' ILE . 13.7 ptmt -129.41 120.47 25.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.819 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.96 107.01 18.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.847 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.5 m -110.06 -36.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -112.48 170.02 8.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.043 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -152.32 -175.67 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.638 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.1 ttpt -149.82 114.51 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.533 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 4.7 tt0 -73.45 92.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.489 HG13 ' HG2' ' A' ' 27' ' ' LYS . 34.4 m -107.1 111.09 34.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.43 150.96 47.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.209 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.547 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.9 t -134.06 28.73 3.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.9 -176.98 28.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.6 m120 -85.07 165.69 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.3 t70 -96.87 -162.33 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.796 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.4 mp -80.23 -0.12 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -107.87 -0.94 21.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.63 -7.96 79.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.501 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 6.7 p-10 -78.4 152.07 78.29 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.0 128.46 11.5 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.612 1.849 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 31' ' ' SER . 39.0 mt -66.58 -89.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.533 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 19.7 ttmm 73.01 126.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.511 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -133.83 72.62 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -39.75 148.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.768 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.4 mm100 -87.16 -176.85 5.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.974 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.89 68.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 16.2 tt0 -62.65 70.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.289 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.889 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.2 pt -65.97 -172.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -126.23 1.4 7.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.527 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.33 124.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.641 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -131.84 -30.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.515 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -153.55 168.22 26.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.221 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.521 ' HA ' HG22 ' A' ' 19' ' ' ILE . 1.3 ptt? -145.65 64.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.969 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -35.88 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.505 1.128 . . . . 0.0 110.928 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.669 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -128.08 66.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.44 -157.3 9.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.99 -177.06 3.2 Favored 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.562 1.822 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -90.08 -32.54 16.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.47 -79.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 151.49 170.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.619 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.2 mm -102.35 -71.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 73.53 -6.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.611 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -148.79 100.18 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.011 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -107.44 172.69 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.768 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 11.3 m-85 -119.57 156.39 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.974 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.1 t -176.67 -167.04 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.432 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.494 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -89.75 146.96 36.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' A' ' 68' ' ' SER . 18.3 Cg_endo -74.91 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.567 ' O ' ' O ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -47.55 -171.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.006 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.3 p -66.94 56.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 109.96 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.741 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 58.2 92.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.549 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.8 OUTLIER -107.38 -26.91 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.752 ' O ' HG22 ' A' ' 99' ' ' THR . 12.8 m -134.43 12.21 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.502 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -148.38 -152.58 5.73 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.515 1.134 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.942 HG23 HD12 ' A' ' 104' ' ' ILE . 73.3 t -113.09 -10.7 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.741 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 14.1 p 43.66 83.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.152 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -108.29 133.8 52.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.231 -179.937 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.506 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -120.82 -0.17 10.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.053 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 72.22 -56.07 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -53.95 -9.81 1.47 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.536 1.147 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.478 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -119.21 -28.41 2.0 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.478 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -114.89 -94.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.366 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.053 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.57 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.581 ' O ' ' O ' ' A' ' 106' ' ' PRO . 2.0 mp0 -146.48 153.84 40.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.152 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.4 p90 -137.22 153.03 50.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.726 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.9 3.4 30.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.145 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.06 103.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.05 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.92 108.72 10.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.513 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.51 176.3 23.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.7 -38.39 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.27 175.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.526 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.6 tp10 -134.88 7.69 3.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.22 -121.85 4.23 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.443 1.09 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.06 144.93 51.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 77.79 -3.8 59.29 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.501 1.125 . . . . 0.0 111.05 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.81 144.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.359 179.908 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.716 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.08 -169.1 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -127.44 130.11 48.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.622 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.011 HD13 HG21 ' A' ' 63' ' ' ILE . 12.0 pt -142.54 139.14 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -139.24 161.99 36.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 110.407 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.652 HD22 ' HA ' ' A' ' 72' ' ' CYS . 1.2 pt? -55.62 -44.86 77.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 1.6 t -63.67 -33.72 76.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 108.241 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.421 ' O ' HG12 ' A' ' 104' ' ' ILE . 3.6 t0 -73.15 166.34 23.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.05 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.41 117.41 11.92 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 111.002 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.942 HD12 HG23 ' A' ' 74' ' ' VAL . 4.7 pt -163.98 136.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.689 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -157.54 156.72 29.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.595 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -74.99 11.39 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.562 1.822 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.679 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.5 t90 71.15 -60.11 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 107.952 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.659 ' O ' HG23 ' A' ' 109' ' ' THR . 21.1 t0 -69.21 52.1 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.7 p -158.72 -56.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.011 HD22 ' HB3' ' A' ' 114' ' ' GLN . 47.5 mt 9.79 -106.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 146.61 -42.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.582 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.77 -65.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.41 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.507 ' N ' HG22 ' A' ' 112' ' ' THR . 23.6 m -48.93 -24.45 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.011 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.0 mp0 -86.26 -35.12 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.603 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.56 -41.19 72.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.562 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.02 -19.02 63.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.225 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.55 -12.87 28.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.969 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 34.1 mt -70.7 -28.5 64.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.24 -179.963 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 37.0 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.3 p -90.61 112.1 51.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 126.71 10.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.759 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.6 p -155.19 -133.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.116 . . . . 0.0 109.366 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.759 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.66 88.17 0.1 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.621 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -74.97 -25.77 11.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.443 ' OE1' ' HE3' ' A' ' 116' ' ' LYS . 1.4 tt0 -117.52 -36.08 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 3.0 mt-30 -64.82 -7.95 13.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.817 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.68 -36.41 28.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.869 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -87.78 3.39 48.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -113.68 -14.71 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.24 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.08 -36.89 10.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.618 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.83 173.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.85 13.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.234 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.8 HG21 ' SD ' ' A' ' 96' ' ' MET . 7.2 p -166.29 86.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.99 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -98.93 118.77 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.606 HD11 ' HE2' ' A' ' 96' ' ' MET . 1.1 pt -143.58 126.71 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.656 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 10.9 ttp85 -78.58 40.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.891 HG21 HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.86 173.4 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.8 ptmt -125.69 120.51 30.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.82 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.95 105.05 16.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.842 ' CG1' HG11 ' A' ' 78' ' ' VAL . 3.3 m -109.38 -39.42 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.501 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -110.0 161.39 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -148.35 -174.06 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.5 ttpt -154.58 112.47 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.492 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.4 tt0 -74.69 91.88 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.553 HG13 ' HG2' ' A' ' 27' ' ' LYS . 16.6 m -100.06 82.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.46 141.75 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.0 t -127.13 30.91 5.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.1 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.77 -171.07 7.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.2 m-20 -83.79 164.8 19.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -95.31 -161.89 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.778 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.56 0.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -107.6 -1.29 21.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.1 -8.89 76.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -78.4 153.4 79.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.588 0.816 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.93 128.99 11.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 31' ' ' SER . 34.4 mt -72.1 -94.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 21.7 ttmt 72.46 122.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.481 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -126.45 68.7 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.037 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -38.98 144.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.778 ' NE2' ' CE1' ' A' ' 64' ' ' TYR . 6.1 mm100 -86.94 177.65 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.957 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.44 67.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.501 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.0 tt0 -63.06 68.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.891 HD12 HG21 ' A' ' 21' ' ' THR . 3.3 pt -63.82 -174.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.526 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -124.64 1.05 8.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.526 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 53.56 119.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.951 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.529 HD11 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -129.16 -29.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -180.0 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.75 163.0 40.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.463 ' HA ' HG22 ' A' ' 19' ' ' ILE . 1.7 ptm -144.98 68.5 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.82 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 14.2 m-85 -39.87 -78.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -124.47 71.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.93 -161.14 10.53 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.579 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.04 -176.45 2.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.06 -33.57 15.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.572 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -75.89 -79.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.6 t70 149.41 169.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.605 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.1 mm -102.9 -73.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.557 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.93 -7.67 1.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.327 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.613 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.6 m-85 -147.47 95.38 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.933 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -105.9 167.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.778 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 5.4 m-85 -118.07 150.11 39.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.899 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.3 t -164.2 -168.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.449 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.761 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.91 148.36 36.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.037 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.04 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.44 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 1.6 m 56.95 -169.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.035 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.7 p -69.22 54.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.746 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 54.52 92.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.575 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -99.78 -41.43 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.376 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.803 ' O ' HG22 ' A' ' 99' ' ' THR . 7.9 m -121.19 13.33 11.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 108.305 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.746 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -154.17 -153.53 6.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.899 HG23 HD12 ' A' ' 104' ' ' ILE . 75.0 t -115.95 -2.67 10.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 74' ' ' VAL . 83.5 p 35.24 84.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.132 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.41 135.86 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.489 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -123.27 -0.04 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.357 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.024 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.45 -56.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.407 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -52.55 -11.7 1.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.462 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.13 -27.74 2.38 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -114.3 -93.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.024 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.14 -82.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.553 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.6 OUTLIER -148.66 156.09 41.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.938 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.132 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.1 p90 -141.07 152.98 45.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.77 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.34 1.03 39.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.124 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.46 100.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.003 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.77 106.77 9.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.598 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.76 165.1 26.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.667 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 3.3 tttm -39.67 -29.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 82.74 -179.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.535 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 15.1 tp10 -134.98 -37.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 171.44 -144.99 8.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.597 1.186 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.86 133.4 48.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.774 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 83.17 -6.59 70.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.075 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -167.72 143.91 4.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.247 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.8 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -139.93 -158.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.04 124.84 21.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.999 HD12 HG13 ' A' ' 86' ' ' ILE . 2.8 pt -139.86 141.27 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.803 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -141.36 164.7 29.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.428 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.551 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.6 OUTLIER -58.64 -43.45 89.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.502 ' H ' HD23 ' A' ' 100' ' ' LEU . 1.7 t -63.73 -32.99 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 108.383 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -75.73 166.9 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.003 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.07 116.76 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.899 HD12 HG23 ' A' ' 74' ' ' VAL . 6.2 pt -163.25 133.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.628 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.7 156.71 31.01 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.683 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.06 11.68 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.406 1.74 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.656 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 4.6 t90 71.9 -60.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 108.01 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 109' ' ' THR . 12.4 t0 -70.37 51.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.683 ' OG1' ' HD2' ' A' ' 106' ' ' PRO . 2.1 p -158.59 -55.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.891 HD22 ' HB3' ' A' ' 114' ' ' GLN . 60.7 mt 11.77 -105.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.81 -42.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.584 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.09 -63.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.527 HG23 ' HE2' ' A' ' 116' ' ' LYS . 1.4 m -54.45 -24.01 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.891 ' HB3' HD22 ' A' ' 110' ' ' LEU . 2.5 mp0 -80.43 -36.34 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.76 ' HA ' HD23 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -68.74 -47.3 66.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.527 ' HE2' HG23 ' A' ' 113' ' ' THR . 0.2 OUTLIER -63.27 -10.86 17.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.574 ' HB3' ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -108.05 -14.12 14.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.82 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -96.31 -13.85 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 101' ' ' CYS . 1.5 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.1 p -128.88 107.95 18.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.957 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 121.75 6.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.556 1.819 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.751 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -149.92 -134.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.751 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 31.29 92.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.536 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.06 -28.55 8.98 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.572 1.827 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.606 HE22 ' HD3' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -107.03 -33.29 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.514 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -72.98 -4.91 35.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.771 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.95 -34.44 24.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.905 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.5 m-85 -91.3 -5.19 55.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -102.27 -10.56 19.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 108.342 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -103.64 -41.24 6.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.601 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.26 170.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.72 14.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.787 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 9.0 p -166.27 90.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.034 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.08 118.86 48.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.657 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -144.53 123.87 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.677 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.2 mtp180 -76.24 40.12 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.945 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.8 t -62.63 172.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.494 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 14.5 ptmt -126.41 120.58 30.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.857 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.16 107.08 18.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.793 HG12 HG11 ' A' ' 78' ' ' VAL . 2.6 m -110.18 -37.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.525 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -114.11 164.95 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -148.5 -175.27 4.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.237 -179.922 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.7 ttpt -152.22 112.1 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.484 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -75.02 88.74 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.555 HG23 ' HG3' ' A' ' 42' ' ' ARG . 15.8 m -95.24 79.62 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -44.04 140.63 1.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.521 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.7 t -126.84 31.25 5.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.72 -169.58 4.25 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.542 1.151 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.3 m-80 -84.07 163.67 19.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 0.774 . . . . 0.0 109.358 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.2 t70 -94.44 -161.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.788 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.5 mp -80.69 1.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.23 -1.64 20.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 111.061 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.84 -8.72 76.88 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.543 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.3 p-10 -79.56 153.32 76.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.41 0.712 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.02 130.47 13.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 41' ' ' LYS . 35.8 mt -75.01 -93.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 23.2 ttmt 71.2 122.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.555 ' HG3' HG23 ' A' ' 29' ' ' VAL . 1.6 ptt180 -128.0 74.38 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.987 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -44.63 142.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.649 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.5 mm100 -85.38 -178.65 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 1.012 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.18 67.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.525 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.1 tt0 -62.28 68.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.328 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.945 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.3 pt -67.07 -175.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.494 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -119.63 -2.71 10.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.522 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.4 mm100 51.75 108.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.465 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -116.24 -35.28 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.515 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -144.81 161.12 40.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -140.35 67.57 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.928 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.845 ' CE2' HD22 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -35.32 -80.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.625 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -127.35 72.33 1.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.24 -163.12 12.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.743 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.03 -172.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -94.43 -33.3 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.653 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.03 -79.17 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.653 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.9 t70 148.35 164.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.693 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -106.18 -78.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.509 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.0 OUTLIER 72.67 -7.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.343 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.577 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -144.29 94.12 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.11 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -99.22 171.37 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.659 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.17 155.49 38.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 65' ' ' THR . . . . . 1.012 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.5 t -170.94 -161.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.401 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.686 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -108.93 151.5 41.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.987 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -161.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.06 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.3 m 58.15 -172.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.949 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.7 p -68.82 56.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.956 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.654 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 54.99 104.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.701 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -112.25 -44.04 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.927 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.686 ' H ' ' HB3' ' A' ' 66' ' ' ALA . 9.6 m -116.88 12.33 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.514 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -151.76 -156.64 7.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.882 HG23 HD12 ' A' ' 104' ' ' ILE . 96.2 t -111.49 2.04 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.359 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.654 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 9.7 p 31.57 88.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.955 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -109.77 130.57 55.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.915 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.484 ' OD2' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -122.26 2.53 9.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.047 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.5 t 70.82 -55.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.94 -12.34 1.72 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.477 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.65 -30.85 1.58 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.52 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -110.66 -95.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 0.728 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.047 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.45 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -149.08 159.27 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.155 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.4 p90 -146.37 153.35 40.41 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.76 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.58 3.5 36.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.155 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.54 101.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.069 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.05 108.9 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.28 -178.05 18.77 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -48.91 -38.74 23.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 0.716 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.787 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 84.03 173.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.535 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 6.6 tp10 -130.16 1.31 4.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.73 -119.66 2.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.65 142.0 49.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.494 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 80.58 -4.39 69.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.044 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.84 140.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.752 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -144.16 -170.48 3.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.56 129.71 47.8 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.528 1.143 . . . . 0.0 109.574 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.11 HD13 HG21 ' A' ' 63' ' ' ILE . 6.3 pt -141.31 134.02 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.602 ' O ' HD11 ' A' ' 104' ' ' ILE . 48.6 p -130.26 164.12 25.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -64.22 -24.37 67.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -80.08 -30.53 39.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -78.33 171.18 15.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.069 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -71.56 120.58 17.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.97 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.882 HD12 HG23 ' A' ' 74' ' ' VAL . 5.5 pt -165.68 138.9 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.667 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -158.59 157.89 29.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.582 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.98 9.04 2.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.526 1.803 . . . . 0.0 110.978 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.677 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.5 t90 73.36 -58.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 108.021 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.65 ' O ' HG23 ' A' ' 109' ' ' THR . 8.1 t70 -69.56 51.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.678 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.4 p -159.19 -55.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.403 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.979 HD22 ' HB3' ' A' ' 114' ' ' GLN . 64.0 mt 11.55 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 147.36 -40.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.95 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.607 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.21 -66.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.393 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.496 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 1.3 m -49.59 -26.63 3.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.979 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.9 mp0 -82.25 -29.28 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.855 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -77.13 -42.86 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.606 ' HD3' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -61.54 -21.66 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.683 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.34 -10.22 47.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.992 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.855 HD12 ' HA ' ' A' ' 115' ' ' LYS . 49.0 mt -75.26 -27.22 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.387 1.054 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.998 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.609 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.6 p -147.44 122.33 5.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.061 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.441 ' CB ' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.06 78.59 2.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.716 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.1 p -90.05 -132.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.716 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.8 OUTLIER 33.08 91.98 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.557 -179.94 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.613 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -75.04 6.53 3.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.549 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -141.74 -43.85 0.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.522 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.53 -7.23 9.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.805 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.13 -32.44 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.9 m-85 -91.06 -5.43 55.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.63 -8.79 20.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 108.376 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.08 -41.64 5.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.623 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.35 169.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.29 11.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.624 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 7.7 p -165.89 93.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.998 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.72 119.11 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.619 HG13 HG22 ' A' ' 21' ' ' THR . 0.6 OUTLIER -142.14 124.76 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.623 ' HD2' HD11 ' A' ' 50' ' ' ILE . 1.2 tmm_? -79.19 40.98 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.915 HG21 HD12 ' A' ' 47' ' ' ILE . 1.3 t -64.5 173.66 2.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.508 ' HG2' HG22 ' A' ' 50' ' ' ILE . 17.0 ptmt -126.76 119.62 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.875 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.69 106.41 18.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.371 1.045 . . . . 0.0 109.233 -179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.707 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.9 m -108.92 -35.09 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -116.32 166.37 12.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.476 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.9 mp0 -151.78 178.47 9.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.679 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.1 ttpt -143.44 112.63 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.614 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.8 tt0 -74.24 96.05 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.495 HG13 ' HG2' ' A' ' 27' ' ' LYS . 33.3 m -112.56 113.66 44.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.428 ' OD2' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -62.73 155.43 26.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.8 t -138.22 23.73 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' ILE . . . 74.14 -179.57 42.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.14 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.514 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.1 m-20 -84.39 164.72 18.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.9 t0 -97.09 -162.26 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.777 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -79.82 -0.51 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.38 -0.91 22.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.34 -8.77 75.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.3 p-10 -78.21 153.47 79.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.98 129.04 11.99 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.552 1.817 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 31' ' ' SER . 49.3 mt -65.49 -85.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HG2' ' HG3' ' A' ' 67' ' ' PRO . 19.8 ttmm 73.04 125.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.466 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -130.02 65.73 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.04 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -36.9 144.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.725 ' NE2' ' CE1' ' A' ' 64' ' ' TYR . 6.4 mm100 -86.03 -179.58 6.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 1.006 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.29 68.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.092 179.916 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.9 tt0 -63.81 67.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.258 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.971 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.5 pt -64.83 -170.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.7 ttpt -126.78 0.39 6.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.562 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 50.17 114.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.938 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.623 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -123.06 -31.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.946 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -146.19 166.01 27.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.251 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.525 ' O ' ' CE ' ' A' ' 52' ' ' MET . 1.1 ttp -145.53 72.15 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.025 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -43.27 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.648 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -127.16 74.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.213 -179.955 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -130.62 -164.82 11.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.599 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -74.94 177.62 8.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.29 -35.85 63.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.94 -87.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.0 t70 151.68 166.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.019 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.4 OUTLIER -119.99 76.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.483 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -70.33 -5.52 28.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 6.7 m-85 -135.01 92.07 2.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.409 1.068 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.938 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -96.13 167.76 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.725 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 20.0 m-85 -117.87 145.86 44.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.858 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.7 t -162.72 -170.8 2.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.775 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -101.96 149.34 36.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.04 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.98 -158.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.46 -160.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.69 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 34.9 t -81.45 30.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.971 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.716 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 85.9 90.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.541 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.6 OUTLIER -98.68 -40.95 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.249 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.775 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 94.7 m -125.23 18.56 8.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.319 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.716 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -156.6 -159.39 9.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.815 HG23 ' CD1' ' A' ' 104' ' ' ILE . 55.6 t -111.87 -1.34 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.592 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 0.0 OUTLIER 33.11 87.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.041 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -106.11 137.32 44.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.489 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -123.67 0.22 8.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.707 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.7 t 69.45 -57.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -48.51 -15.46 0.47 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.479 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -114.32 -31.66 2.16 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -105.83 -93.31 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 163.0 -60.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.509 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -168.09 167.47 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.132 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -153.36 152.87 31.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.765 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.83 2.1 39.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.132 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 11.31 100.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 0.0 109.288 -179.917 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.067 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.38 110.65 12.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.401 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.08 170.74 26.43 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.15 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -41.89 -30.89 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 0.758 . . . . 0.0 109.239 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.68 -179.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.534 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.5 tp10 -139.06 -1.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 136.35 -125.0 3.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -126.52 146.96 49.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.435 ' H ' HD13 ' A' ' 60' ' ' ILE . . . 72.24 -1.37 34.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.839 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -178.39 137.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 96' ' ' MET . . . . . 1.019 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -132.98 -160.13 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.421 ' CG ' ' OE1' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -133.27 124.11 26.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.569 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.054 HD12 HG13 ' A' ' 86' ' ' ILE . 1.7 pt -139.35 133.42 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.63 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.8 p -133.29 169.02 17.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.609 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -66.24 -26.06 67.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.67 -22.69 37.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.415 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.9 t0 -87.24 169.63 12.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.231 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.067 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.48 118.89 13.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.864 HG23 ' O ' ' A' ' 103' ' ' PHE . 6.6 pt -165.66 134.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.652 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.62 157.16 32.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.969 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.579 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.05 8.27 2.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.804 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.613 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.8 t90 74.31 -59.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 0.0 107.954 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.632 ' O ' HG23 ' A' ' 109' ' ' THR . 23.9 t70 -68.29 52.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.222 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 8.2 p -158.83 -53.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.013 HD22 ' HB3' ' A' ' 114' ' ' GLN . 58.1 mt 6.25 -107.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.27 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 110.0 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.61 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.15 -65.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 110.412 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 8' ' ' PRO . 3.4 m -48.41 -26.12 1.94 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.522 1.138 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.013 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.2 mp0 -84.55 -32.32 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.705 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -72.69 -40.73 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.549 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.38 -19.69 64.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.657 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.65 -5.04 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 109.941 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.025 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 46.4 mt -80.35 -27.08 38.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 16.3 p30 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.965 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 100' ' ' LEU . 1.7 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.5 p -129.61 107.98 17.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 130.05 12.88 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.423 1.749 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.785 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.8 p -154.51 -134.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.785 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.8 OUTLIER 33.3 88.52 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.684 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 4.02 5.08 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.447 1.762 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.527 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -141.29 -44.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 2.9 mt-30 -63.64 -5.74 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.09 -36.55 24.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.873 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -87.43 -6.29 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.15 -17.76 16.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -93.47 -41.84 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.539 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.94 172.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -152.08 16.03 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.939 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 3.1 p -166.39 88.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.107 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -99.76 117.11 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.587 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -141.46 125.52 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.567 ' HD3' ' CE3' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -77.09 40.18 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.887 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.1 t -62.98 163.88 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.1 ptmt -119.33 120.42 36.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.835 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.85 104.91 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.874 HG12 HG11 ' A' ' 78' ' ' VAL . 2.6 m -107.76 -37.11 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -114.14 165.25 12.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.0 mp0 -148.58 -176.08 5.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.667 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.9 ttpt -151.86 114.09 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.498 ' CG ' ' HE3' ' A' ' 41' ' ' LYS . 8.7 tt0 -74.89 91.24 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.566 HG13 ' HG2' ' A' ' 27' ' ' LYS . 15.9 m -100.67 112.2 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.248 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.558 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -56.83 152.88 11.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.649 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -140.65 19.32 2.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.573 1.171 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.23 -178.65 37.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m-20 -83.98 163.93 19.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -94.98 -160.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.85 0.69 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.99 0.1 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.03 -8.58 75.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.4 p-10 -78.89 155.52 77.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.08 130.01 12.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.649 HG21 ' OG ' ' A' ' 31' ' ' SER . 50.2 mt -67.37 -79.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.6 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 13.1 tppt? 68.29 125.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.81 65.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.001 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -36.83 146.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.827 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.7 mm100 -89.86 -179.59 5.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.923 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.51 69.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.521 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.0 tt0 -63.78 68.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.887 HD12 ' CG2' ' A' ' 21' ' ' THR . 1.6 pt -65.45 -170.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.575 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.3 ttpt -127.51 4.27 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.575 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER 49.38 114.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.965 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.463 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -124.44 -33.44 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.2 tttt -144.76 162.85 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.511 ' HA ' HG22 ' A' ' 19' ' ' ILE . 9.7 ptm -146.89 63.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.66 ' CE1' HD22 ' A' ' 118' ' ' LEU . 51.9 m-85 -40.84 -70.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.781 ' HB3' HG23 ' A' ' 18' ' ' VAL . 47.2 tptt -130.31 161.35 31.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 128.08 -135.82 8.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.01 -166.9 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.85 -31.25 7.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.8 -80.19 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.3 t70 158.86 169.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.653 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.4 mm -100.07 -72.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.589 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.71 -10.38 1.19 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -145.4 97.11 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.024 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.11 169.46 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.827 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 5.6 m-85 -123.01 154.89 37.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.797 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.6 t -168.59 -161.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.758 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -106.79 152.75 40.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.001 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.06 -159.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.768 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.66 -161.17 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.979 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.725 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 35.3 p -81.15 28.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 88.42 97.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.509 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -108.24 -38.06 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.758 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 33.4 m -124.91 19.17 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.336 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.566 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -159.19 -158.43 9.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.939 HG23 HD12 ' A' ' 104' ' ' ILE . 82.6 t -110.64 1.12 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.664 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 30.76 84.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.955 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.154 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.06 135.01 46.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.493 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -123.79 0.17 8.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.066 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.5 t 71.53 -53.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.62 -11.72 2.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.442 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.82 -29.7 1.79 Allowed Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.526 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -112.65 -94.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.066 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.18 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.562 ' O ' ' O ' ' A' ' 106' ' ' PRO . 3.0 mp0 -146.78 158.76 43.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.154 ' CE2' HD13 ' A' ' 76' ' ' LEU . 3.2 p90 -144.85 151.4 38.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.882 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.15 3.38 27.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.392 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.147 HD13 ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.61 100.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.107 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -129.32 104.24 7.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -159.37 168.19 35.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -38.55 97.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.939 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -64.5 174.38 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.229 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.519 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.4 tp10 -126.11 12.78 7.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.01 -116.88 2.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.91 139.34 39.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 80.79 1.58 89.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.653 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.43 145.43 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 0.8 . . . . 0.0 109.371 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.684 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -151.98 -170.44 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 -179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.07 131.74 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.61 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.024 HD13 HG21 ' A' ' 63' ' ' ILE . 6.0 pt -141.82 149.36 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.642 ' O ' HD11 ' A' ' 104' ' ' ILE . 2.0 p -147.07 162.96 37.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.526 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -62.66 -28.28 69.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -30.98 57.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.13 171.14 15.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.029 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.75 118.74 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.939 HD12 HG23 ' A' ' 74' ' ' VAL . 5.9 pt -164.88 134.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.26 157.63 31.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.562 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.6 Cg_endo -74.92 6.48 3.33 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.614 ' HD1' HD12 ' A' ' 85' ' ' LEU . 3.4 t90 75.92 -57.79 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.573 ' O ' HG23 ' A' ' 109' ' ' THR . 17.0 t70 -68.61 50.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.693 ' O ' ' C ' ' A' ' 110' ' ' LEU . 15.3 p -158.28 -55.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.019 HD22 ' HB3' ' A' ' 114' ' ' GLN . 52.2 mt 9.02 -106.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.49 -43.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.565 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 162.16 -63.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.519 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 25.5 m -51.63 -26.82 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.425 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.019 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.7 mp0 -81.9 -34.28 30.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.601 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -71.03 -43.24 68.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.527 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.3 -19.95 63.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.627 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.96 -7.62 39.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.66 HD22 ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -81.18 -24.77 37.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.431 ' ND2' ' C ' ' A' ' 119' ' ' ASN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -103.59 107.47 56.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 119.3 5.6 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.811 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.722 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -144.48 -133.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.722 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.2 p80 37.46 86.42 0.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.626 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -0.66 10.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.557 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 38.6 tp60 -137.09 -43.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.0 mt-30 -63.94 -5.61 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.814 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.2 -35.25 23.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.918 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -89.02 -0.22 57.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.0 -15.94 14.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.05 -38.19 10.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.572 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.05 172.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.09 15.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.697 HG23 ' HD3' ' A' ' 56' ' ' PRO . 12.2 p -166.74 88.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.018 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -100.32 117.35 45.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.632 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -143.12 127.43 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.59 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 0.5 OUTLIER -78.0 42.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.974 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.6 t -66.2 163.1 18.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.483 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 14.6 ptmt -118.51 122.41 42.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.828 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.12 104.02 16.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.929 HG12 HG11 ' A' ' 78' ' ' VAL . 3.5 m -107.27 -35.92 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.524 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -114.51 161.5 17.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -146.01 -172.52 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.943 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.646 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.7 ttpt -156.85 119.75 4.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.478 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 3.4 tt0 -79.84 94.76 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.712 HG23 ' CD ' ' A' ' 42' ' ' ARG . 10.7 m -102.79 84.64 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.72 150.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.529 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -136.89 23.22 3.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.23 -170.79 25.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.1 m-80 -84.14 164.0 19.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.769 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.6 t70 -95.28 -161.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.774 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.47 0.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.46 -1.58 21.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.76 -8.83 76.37 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.534 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.4 p-10 -79.63 154.04 76.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.98 130.0 12.88 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.529 HG21 ' OG ' ' A' ' 31' ' ' SER . 61.0 mt -72.82 -90.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 18.7 ttmt 66.72 123.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.712 ' CD ' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.06 70.48 1.46 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.946 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -37.79 154.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.783 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.0 mm100 -94.72 -179.81 5.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 1.056 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.25 68.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.524 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.2 tt0 -63.13 68.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.974 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -67.58 -174.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.598 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -122.39 6.92 9.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.215 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.9 mm100 41.49 106.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -114.71 -35.69 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.444 ' O ' ' HB ' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -141.07 159.59 41.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.446 ' HA ' HG22 ' A' ' 19' ' ' ILE . 9.8 ptm -142.82 65.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.703 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 20.3 m-85 -37.63 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -121.87 76.55 1.29 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.39 -165.95 12.0 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.697 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.97 -171.1 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.759 . . . . 0.0 111.052 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -95.1 -33.41 12.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -72.41 -77.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.616 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.5 t70 145.35 164.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.733 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -105.31 -79.26 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.49 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 73.79 -10.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -139.86 94.73 2.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.054 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -102.66 168.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.783 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 5.9 m-85 -122.2 158.82 28.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' THR . . . . . 1.056 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.9 t -174.48 -162.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.467 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.09 153.43 38.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.946 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.09 -175.77 2.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.3 -166.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.021 -179.933 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.768 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 8.1 p -59.85 -33.88 72.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 149.68 111.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.371 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.594 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -117.4 -39.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.688 ' HA ' HD22 ' A' ' 100' ' ' LEU . 13.3 m -126.01 16.4 7.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 108.289 179.945 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.576 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -157.17 -154.72 7.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.082 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.846 HG23 HD12 ' A' ' 104' ' ' ILE . 90.6 t -115.68 -1.79 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 32.75 86.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.031 179.959 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.037 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -104.16 130.61 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.933 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.57 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -117.09 -4.41 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.069 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 74.74 -50.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 179.945 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.28 -13.78 1.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.551 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.02 -35.79 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.551 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -103.61 -98.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.358 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.069 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.78 -81.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.555 ' O ' ' O ' ' A' ' 106' ' ' PRO . 7.2 mp0 -147.56 153.26 39.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.418 1.074 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.141 ' CD1' HD13 ' A' ' 86' ' ' ILE . 3.2 p90 -137.98 153.22 49.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.75 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.16 4.77 25.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.141 HD13 ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 8.86 102.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.066 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.94 108.09 10.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.539 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.16 174.37 23.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.63 -37.39 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 83.86 175.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.539 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.0 tp10 -133.9 4.62 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.83 -122.86 3.87 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.494 1.121 . . . . 0.0 111.062 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.02 143.45 50.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 0.806 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.22 -3.38 62.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.576 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.95 143.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 0.798 . . . . 0.0 109.295 -179.941 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.733 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -146.83 -168.93 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.2 127.6 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.614 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.054 HD13 HG21 ' A' ' 63' ' ' ILE . 4.6 pt -140.45 136.75 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.538 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.1 p -135.44 166.35 23.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.688 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -59.23 -43.23 92.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -64.57 -32.5 74.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.2 t0 -73.82 166.53 23.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.066 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.93 118.58 13.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.846 HD12 HG23 ' A' ' 74' ' ' VAL . 6.5 pt -164.15 136.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.579 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -157.5 156.71 29.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.592 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.9 10.92 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.553 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 10.2 t90 71.67 -59.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.667 ' O ' HG23 ' A' ' 109' ' ' THR . 32.8 t0 -69.84 52.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.678 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 p -159.15 -55.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.02 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.2 mt 9.4 -107.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.657 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 145.86 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.61 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.86 -63.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.55 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.5 m -49.97 -22.23 1.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.02 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.8 mp0 -88.79 -38.51 14.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.616 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -66.28 -40.12 89.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.946 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.55 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.94 -14.75 37.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.938 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.606 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.1 -11.43 22.89 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.952 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.703 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -85.73 -0.19 54.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.7 m120 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.972 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.454 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -100.2 107.71 48.78 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -74.98 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.425 1.75 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.72 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.7 p -141.87 -134.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.72 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.77 95.91 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.589 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.484 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -75.01 -30.48 7.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.55 1.816 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.455 ' NE2' ' HE3' ' A' ' 116' ' ' LYS . 2.5 tp60 -115.12 -34.56 4.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.2 OUTLIER -62.17 -10.92 11.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.775 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.21 -36.3 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -88.62 -2.53 58.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.0 m -105.16 -12.81 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 108.336 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -98.58 -43.79 6.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.607 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.21 171.25 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' GLY . 19.4 m-20 -148.68 14.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.608 1.192 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.793 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 2.5 p -165.6 88.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.986 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -98.59 117.68 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.925 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.554 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -140.63 126.65 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.612 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 12.3 mtp180 -77.52 35.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.881 HG21 HD12 ' A' ' 47' ' ' ILE . 2.1 t -56.52 173.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.576 ' HE2' HG11 ' A' ' 78' ' ' VAL . 17.0 ptmt -129.05 118.05 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.907 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.48 100.07 12.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.526 HG13 ' HE2' ' A' ' 22' ' ' LYS . 2.5 m -101.78 -35.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.478 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.4 t -116.35 162.99 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.947 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -148.31 -174.45 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.4 ttpt -153.5 113.11 3.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.486 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.3 tt0 -74.23 94.99 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.547 HG13 ' HG2' ' A' ' 27' ' ' LYS . 15.3 m -103.45 80.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.89 139.31 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.526 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.8 t -124.6 32.63 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.34 -170.13 4.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.5 m-20 -84.17 165.83 18.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -95.72 -162.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.786 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -79.82 1.06 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -108.25 -1.59 20.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.25 -8.85 77.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -77.97 153.26 80.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.96 129.3 12.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 0.0 111.027 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 31' ' ' SER . 36.5 mt -73.64 -95.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.512 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 17.5 ttmt 72.98 120.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.312 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.474 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -125.94 66.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.698 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.3 mp -37.69 146.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.749 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.7 mm100 -88.03 179.15 6.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.914 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.871 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.34 69.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.044 -179.933 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.0 tt0 -64.56 66.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.937 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.99 HD11 ' O ' ' A' ' 60' ' ' ILE . 2.2 pt -63.76 -172.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.48 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -124.98 -1.61 7.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.48 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.74 119.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.343 -179.921 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.558 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -126.86 -31.18 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.36 168.26 26.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.51 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -146.24 67.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.103 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -36.47 -78.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.753 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -125.18 57.72 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.57 -169.07 19.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.637 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.05 -176.12 2.72 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.409 1.742 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.02 -37.69 58.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.589 1.181 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -77.97 -85.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 0.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.8 t70 152.4 168.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.99 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -119.48 73.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -68.8 -5.73 22.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 3.4 m-85 -132.86 91.99 2.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.993 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -98.1 166.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.749 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.7 m-85 -121.57 146.19 47.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.093 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.746 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.1 t -161.82 -168.17 1.87 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.701 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.85 148.82 37.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.698 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -75.04 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.566 1.824 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.471 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.9 OUTLIER 59.98 -171.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.7 p -69.74 55.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.711 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 55.29 92.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -98.81 -40.53 9.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.787 ' O ' HG22 ' A' ' 99' ' ' THR . 39.4 m -124.56 17.95 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 108.322 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.711 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -157.27 -153.64 6.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.93 HG23 HD12 ' A' ' 104' ' ' ILE . 89.7 t -116.22 -0.94 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 0.0 109.213 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.593 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 28.07 81.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.002 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.43 133.12 49.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.514 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -108.63 -6.98 15.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 82' ' ' LYS . 5.7 t 69.28 -56.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.504 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -49.18 -12.36 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -119.48 -23.93 3.02 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.514 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -110.66 -90.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.228 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.66 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 169.69 -88.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.547 ' O ' ' O ' ' A' ' 106' ' ' PRO . 6.7 mp0 -151.89 145.06 24.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.14 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -122.18 155.26 36.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.722 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -85.35 3.32 40.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 -179.884 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.14 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.21 104.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.068 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.42 113.38 16.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.61 175.7 22.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.117 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.573 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -57.66 -17.45 14.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.787 . . . . 0.0 109.344 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.793 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 75.92 176.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.218 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -121.71 -42.08 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 155.69 53.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.436 1.085 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.553 ' C ' ' H ' ' A' ' 95' ' ' LYS . 3.6 m-20 56.87 154.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 0.727 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.02 -10.82 0.74 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.766 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -175.49 143.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.921 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -144.89 -172.84 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.933 -179.93 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -124.39 128.96 49.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.532 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.993 HD13 HG21 ' A' ' 63' ' ' ILE . 4.4 pt -140.42 136.42 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -137.72 164.03 29.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.568 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -58.44 -43.71 88.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -31.86 73.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.093 . . . . 0.0 108.307 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.475 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.8 t0 -75.63 175.49 8.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.068 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -77.94 116.51 18.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.93 HD12 HG23 ' A' ' 74' ' ' VAL . 6.2 pt -164.44 133.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.664 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.24 156.82 32.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.604 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.02 11.24 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.456 1.766 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.603 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.6 t90 71.08 -59.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.022 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.654 ' O ' HG23 ' A' ' 109' ' ' THR . 30.6 t0 -69.56 52.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.675 ' O ' ' C ' ' A' ' 110' ' ' LEU . 3.4 p -158.69 -55.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.042 HD22 ' HB3' ' A' ' 114' ' ' GLN . 55.7 mt 10.66 -107.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 147.05 -41.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.618 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.06 -58.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.583 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 37.2 m -54.6 -23.88 18.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.042 ' HB3' HD22 ' A' ' 110' ' ' LEU . 2.7 mp0 -86.14 -36.19 19.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.589 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -68.11 -39.07 82.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.947 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.583 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 2.0 pttt -63.93 -16.48 61.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.707 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.48 -5.83 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.988 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.103 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 29.1 mt -76.65 -26.92 55.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.7 p30 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.999 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.8 p -108.03 108.21 61.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.88 126.06 9.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.811 . . . . 0.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.751 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.3 p -152.57 -134.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.751 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.9 p80 37.39 87.03 0.12 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.57 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 0.6 8.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.566 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -135.68 -44.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.468 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -62.11 -7.6 4.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.917 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.807 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.73 -33.9 27.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.207 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.857 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 m-85 -92.39 7.17 44.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -116.66 -9.35 11.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.506 1.129 . . . . 0.0 108.342 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.11 -40.26 6.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.641 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.31 169.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -145.02 11.59 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.082 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 88' ' ' GLY . 6.7 p -164.72 92.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.983 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.71 116.19 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.54 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -141.46 127.02 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.612 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 16.4 mtp180 -77.19 36.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.847 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.1 t -58.1 169.11 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.346 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HG2' HG22 ' A' ' 50' ' ' ILE . 15.3 ptmt -125.41 120.47 31.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.829 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.44 108.46 19.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.787 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -110.53 -34.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.468 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.6 t -119.76 162.73 18.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 4.1 mp0 -145.74 -173.98 4.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.67 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.6 ttpt -153.3 116.52 4.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.48 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 9.2 tt0 -76.8 92.53 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.528 HG13 ' HG2' ' A' ' 27' ' ' LYS . 23.2 m -103.42 112.17 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -59.65 149.74 29.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.479 ' OG ' HG21 ' A' ' 40' ' ' ILE . 2.1 t -134.53 16.29 3.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.39 175.24 36.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.436 1.085 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.549 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -82.77 161.29 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -95.17 -162.73 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.782 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -78.77 -1.39 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.515 ' CD1' ' OD1' ' A' ' 38' ' ' ASN . 27.0 t80 -98.63 -17.36 18.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.65 -8.65 56.62 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.566 1.166 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.549 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -85.01 154.43 60.68 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.528 0.781 . . . . 0.0 109.373 179.972 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.99 130.25 13.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.479 HG21 ' OG ' ' A' ' 31' ' ' SER . 92.3 mt -64.14 -77.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.628 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.5 tppt? 69.0 123.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 179.934 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.481 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -129.36 67.65 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.93 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.97 148.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.761 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.5 mm100 -90.28 179.36 5.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 1.06 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.4 OUTLIER -136.32 69.25 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 13.7 tt0 -64.37 68.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.916 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.6 pt -64.24 -169.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.576 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.5 ttpt -127.8 5.26 6.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.576 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 48.32 113.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.502 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -122.06 -30.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.968 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.449 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.28 167.14 29.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.459 ' HA ' HG22 ' A' ' 19' ' ' ILE . 2.4 ptt? -146.23 68.37 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.057 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -37.76 -80.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.94 -179.883 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.628 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -126.18 72.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -125.96 -164.14 11.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.459 1.099 . . . . 0.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.617 ' HG3' HD11 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 -174.44 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.771 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.57 -38.18 40.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 1.5 tpmt? -77.24 -85.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.5 t70 154.12 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.368 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.989 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.6 OUTLIER -119.83 71.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -68.58 -5.98 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 3.1 m-85 -131.8 90.81 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.988 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -97.68 166.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.761 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.1 m-85 -121.01 152.47 38.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 65' ' ' THR . . . . . 1.06 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.9 t -166.56 -162.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.568 1.167 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.825 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -104.88 152.7 39.61 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.93 ' HB3' HD13 ' A' ' 43' ' ' ILE . 17.9 Cg_endo -75.11 -161.19 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.68 -160.3 0.3 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.718 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 87.3 p -83.24 30.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 87.31 95.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.264 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.545 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -107.59 -38.39 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.825 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 14.7 m -122.88 14.22 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.54 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.65 -153.12 6.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.874 HG23 HD12 ' A' ' 104' ' ' ILE . 74.2 t -115.67 0.31 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.744 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.587 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 5.0 p 33.07 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.954 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.979 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -110.78 134.27 52.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 1.1 p30 -126.09 2.62 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.024 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.5 t 69.98 -55.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -53.24 -11.85 1.78 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -119.75 -30.73 1.45 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -110.33 -93.79 0.43 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.024 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 162.74 -81.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.519 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -149.01 160.34 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.125 ' CG ' HD13 ' A' ' 86' ' ' ILE . 3.4 p90 -148.39 152.14 36.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.748 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.35 2.16 33.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.125 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.91 101.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 -179.928 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.06 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.52 107.71 10.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.222 -179.924 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.656 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -158.17 154.52 25.6 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.1 OUTLIER -37.37 97.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 109.364 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.514 ' HA ' ' CB ' ' A' ' 96' ' ' MET . . . -50.47 178.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 25.1 tt0 -115.04 -34.53 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 151.56 49.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.517 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 13.0 m-20 57.81 149.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 0.782 . . . . 0.0 109.23 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.613 ' H ' HD13 ' A' ' 60' ' ' ILE . . . 70.5 -5.62 6.98 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.815 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -178.4 141.54 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 0.713 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.989 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -146.75 -172.34 3.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 111.037 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.63 128.0 48.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.034 HD12 HG13 ' A' ' 86' ' ' ILE . 3.2 pt -139.83 134.82 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -135.13 164.87 26.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.412 1.07 . . . . 0.0 110.409 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.631 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -57.87 -43.15 85.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -32.75 74.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.441 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.2 t70 -74.0 168.07 20.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.376 179.915 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.06 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -71.79 118.2 14.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.967 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.874 HD12 HG23 ' A' ' 74' ' ' VAL . 6.0 pt -164.63 135.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.669 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.4 156.54 31.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.589 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.93 9.62 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.428 1.752 . . . . 0.0 111.054 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.567 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 12.0 t90 72.96 -59.56 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 108.028 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 109' ' ' THR . 33.0 t70 -69.19 52.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.236 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.681 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.9 p -159.12 -57.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.031 HD22 ' HB3' ' A' ' 114' ' ' GLN . 44.6 mt 11.0 -107.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.238 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.18 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.18 -66.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.481 ' N ' HG22 ' A' ' 112' ' ' THR . 11.2 m -47.84 -25.1 1.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.463 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.031 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.0 mp0 -85.58 -35.28 21.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.582 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.13 -40.55 74.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.566 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.47 -21.02 65.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.661 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.24 -14.51 30.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.057 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 37.2 mt -68.81 -31.38 70.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -103.54 111.49 65.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.065 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.96 120.55 6.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.725 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -147.39 -133.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.725 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.4 p80 37.08 83.46 0.2 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.574 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.426 ' O ' HG22 ' A' ' 113' ' ' THR . 18.7 Cg_endo -74.94 3.56 5.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.55 1.816 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.546 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -140.32 -43.65 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.336 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.0 mt-30 -65.19 -4.14 4.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.793 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.36 -37.07 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.871 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.4 m-85 -85.98 -10.28 55.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.61 -15.06 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 108.306 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.82 -43.77 7.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.587 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.21 170.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER -149.46 13.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.856 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 3.3 p -164.93 87.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.958 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -98.45 121.27 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.57 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.42 126.02 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.673 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.0 mtp180 -77.7 39.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.236 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.989 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.14 166.2 3.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 15.7 ptmt -120.97 121.3 37.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.828 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.91 102.28 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.913 HG12 HG11 ' A' ' 78' ' ' VAL . 3.8 m -105.83 -35.05 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -116.39 162.11 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.103 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.4 mp0 -144.13 -175.19 4.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.693 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.3 ttpt -154.87 113.8 3.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.458 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 7.6 tt0 -74.73 92.08 2.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.559 HG13 ' HG2' ' A' ' 27' ' ' LYS . 4.9 m -97.79 96.56 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.497 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -46.72 146.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.665 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -134.82 18.48 3.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.62 -175.05 27.02 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.9 m-20 -84.22 166.13 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.0 t0 -96.16 -162.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.783 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -79.88 1.38 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -109.11 -0.61 19.31 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.61 -9.58 73.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -77.67 154.19 81.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.08 130.28 13.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.665 HG21 ' OG ' ' A' ' 31' ' ' SER . 48.4 mt -71.83 -83.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.552 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.32 123.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.463 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -128.43 68.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.972 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.958 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.5 145.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.693 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.5 mm100 -89.5 -178.44 5.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 1.043 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.98 68.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.3 tt0 -62.34 69.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.989 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.1 pt -68.0 -172.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.575 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.8 ttpt -124.28 7.81 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.575 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.0 mm100 39.37 103.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.496 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -111.24 -33.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.536 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -144.24 162.01 37.46 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.49 ' HA ' HG22 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -142.26 69.89 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.105 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -36.74 -78.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.951 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.59 ' HB3' HG23 ' A' ' 18' ' ' VAL . 8.2 tptp -128.53 70.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -116.33 -164.4 13.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.651 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -74.97 -168.03 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -95.49 -34.77 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.43 -79.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.591 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.4 t70 148.42 163.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.709 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -104.17 -80.06 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.512 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 74.09 -7.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 110.328 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.536 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -141.68 93.74 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -100.3 170.22 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.594 1.184 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.683 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -124.27 160.01 28.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 65' ' ' THR . . . . . 1.043 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.9 t -174.54 -162.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.646 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -109.61 153.63 42.82 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.958 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -74.98 -160.7 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 62.59 -163.7 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.932 179.922 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.581 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 39.7 p -79.29 39.93 0.41 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.725 ' HB2' ' HB3' ' A' ' 75' ' ' SER . . . 75.87 97.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.566 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -107.48 -36.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.646 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 17.1 m -127.09 18.27 7.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.933 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.539 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -157.12 -155.91 7.67 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.001 HG23 HD12 ' A' ' 104' ' ' ILE . 47.6 t -116.51 10.18 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.725 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 0.0 OUTLIER 22.95 88.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.003 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -107.76 128.76 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.601 1.188 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.571 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -117.39 -8.04 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.95 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.2 t 75.21 -34.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.31 -9.83 25.42 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.489 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -127.01 -37.59 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.556 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -94.66 -100.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.95 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.07 -68.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.208 179.973 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.543 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -159.86 163.36 34.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.155 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.5 p90 -146.97 153.12 39.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.715 HD11 HG23 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -84.37 3.86 33.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.155 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 8.99 102.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.078 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -124.78 110.97 14.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.616 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.15 -178.68 17.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.08 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.8 mttt -59.94 -19.05 49.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.856 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 75.88 -178.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.503 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 42.2 tt0 -125.77 -41.69 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.55 53.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 95' ' ' LYS . 12.6 t70 57.03 154.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 0.76 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.497 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 65.21 -4.82 1.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.709 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -179.65 144.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.759 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -147.43 -170.83 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.928 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.683 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -130.7 126.32 36.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.6 179.999 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.006 HD13 HG21 ' A' ' 63' ' ' ILE . 9.3 pt -134.58 140.86 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.669 ' O ' HD11 ' A' ' 104' ' ' ILE . 2.2 p -138.23 159.61 41.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.527 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -60.96 -22.47 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -28.8 27.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.446 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 21.1 t0 -81.31 172.73 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.078 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.8 118.23 14.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.001 HD12 HG23 ' A' ' 74' ' ' VAL . 4.9 pt -164.73 137.04 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.715 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.49 157.89 31.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.61 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.06 10.85 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.673 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.0 t90 71.51 -60.36 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.639 ' O ' HG23 ' A' ' 109' ' ' THR . 38.2 t70 -70.01 52.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.674 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.7 p -158.16 -58.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.918 HD22 ' HB3' ' A' ' 114' ' ' GLN . 51.9 mt 13.06 -107.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 146.56 -41.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.59 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.43 -65.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.498 ' N ' HG22 ' A' ' 112' ' ' THR . 24.5 m -49.48 -28.04 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.918 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.9 mp0 -82.32 -31.26 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.311 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.551 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -75.0 -41.99 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.546 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -61.55 -20.26 63.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.682 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.38 -10.37 41.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 110.017 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.105 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 49.6 mt -74.51 -28.01 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.969 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.76 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.9 p -135.23 130.04 19.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -74.96 127.65 10.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.436 1.756 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.756 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.6 p -146.4 -133.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.756 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 33.33 88.3 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.614 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.683 ' O ' HG22 ' A' ' 113' ' ' THR . 18.5 Cg_endo -74.88 3.12 5.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.549 1.815 . . . . 0.0 111.046 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.568 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 45.0 tp60 -141.35 -45.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 6.5 mt-30 -63.78 -5.61 4.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.807 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.63 -37.97 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.873 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -87.3 3.21 47.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.431 1.082 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.5 -15.55 13.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 -179.935 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.1 -36.99 10.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.583 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.03 172.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -150.17 13.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.715 HG23 ' HD3' ' A' ' 56' ' ' PRO . 11.5 p -167.31 91.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.012 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -101.16 119.26 49.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.621 HG22 ' HG3' ' A' ' 52' ' ' MET . 1.0 OUTLIER -145.17 126.16 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.653 ' HD2' HD11 ' A' ' 50' ' ' ILE . 1.4 ttm180 -77.55 38.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.586 1.179 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.987 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.67 166.31 4.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.454 1.096 . . . . 0.0 110.488 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 13.9 ptmt -120.63 121.25 37.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.84 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.54 104.79 16.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.913 HG12 HG11 ' A' ' 78' ' ' VAL . 4.4 m -108.95 -34.18 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -116.69 166.51 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -149.56 179.84 7.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.663 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.7 ttpt -147.34 113.17 5.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.5 tt0 -74.33 90.83 2.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.379 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.595 HG13 ' HG2' ' A' ' 27' ' ' LYS . 10.8 m -98.07 94.6 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.507 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -44.32 147.25 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.663 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -134.67 17.74 3.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.75 -175.4 26.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.107 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 9.6 m-80 -84.45 165.89 17.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.78 -161.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.786 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.84 0.32 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -107.9 -0.41 21.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.14 -8.3 77.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -78.51 153.09 78.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -74.98 129.58 12.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.405 1.739 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.663 HG21 ' OG ' ' A' ' 31' ' ' SER . 48.8 mt -70.81 -82.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.554 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 68.69 123.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 29' ' ' VAL . 1.5 ptt180 -128.75 68.82 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.945 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -42.44 142.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.4 mm100 -85.36 -176.34 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.343 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.933 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -138.28 70.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.2 tt0 -63.39 68.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.987 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.1 pt -66.71 -172.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.594 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.4 ttpt -123.63 10.91 9.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.8 mm100 35.79 101.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.653 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -111.25 -32.77 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -142.12 160.28 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.621 ' HG3' HG22 ' A' ' 19' ' ' ILE . 31.8 ttm -142.05 67.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.695 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 14.8 m-85 -39.45 -82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.537 ' C ' ' CE ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -123.67 76.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.411 ' N ' ' HE3' ' A' ' 54' ' ' LYS . . . -124.47 -162.89 11.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.715 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.0 Cg_endo -75.02 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -99.4 -34.34 10.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.311 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -72.97 -79.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.93 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.611 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.7 t70 149.57 165.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.621 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -106.94 -79.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.497 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 74.36 -9.21 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.583 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -144.12 94.71 2.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.955 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.976 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -98.02 171.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.945 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.65 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -122.57 151.68 41.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.832 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.5 t -168.36 -162.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.627 ' HB1' HG22 ' A' ' 71' ' ' VAL . . . -107.99 153.3 41.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.945 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.04 -158.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.498 1.789 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 53.96 -170.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 110.025 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -71.03 53.09 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.592 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 61.78 102.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.765 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -110.32 -27.65 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.765 ' SG ' HG23 ' A' ' 71' ' ' VAL . 8.5 m -137.46 13.87 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 108.317 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.592 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -152.39 -152.71 6.03 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.968 HG23 HD12 ' A' ' 104' ' ' ILE . 50.6 t -114.68 3.14 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.237 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 74' ' ' VAL . 60.4 p 28.09 83.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.059 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.147 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.09 138.1 41.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.466 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.3 OUTLIER -126.73 0.53 6.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.02 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.2 t 70.93 -54.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.348 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.21 -12.63 1.43 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.443 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.25 -29.33 1.97 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.518 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -111.31 -93.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.02 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 163.71 -73.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -155.78 164.05 39.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.147 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.3 p90 -150.33 152.36 34.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 1.136 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.74 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.38 3.91 29.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.133 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.68 101.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.042 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.46 106.75 9.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.688 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -160.38 155.55 26.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -35.0 95.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 0.709 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.666 ' HB2' ' HB ' ' A' ' 17' ' ' VAL . . . -55.77 174.72 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.502 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 22.3 tp10 -118.6 -2.76 10.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 141.37 -109.98 0.62 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 0.0 111.063 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.505 ' OD1' ' CB ' ' A' ' 56' ' ' PRO . 77.1 m-20 -143.49 133.63 24.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.501 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 87.89 -4.37 85.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.6 141.66 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.755 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.45 -169.75 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.91 133.69 52.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.976 HD13 HG21 ' A' ' 63' ' ' ILE . 15.9 pt -145.28 137.41 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.628 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.8 OUTLIER -135.77 159.34 41.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.76 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER -55.49 -44.52 76.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.433 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -63.11 -32.34 73.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.476 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.4 t0 -74.11 168.2 20.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.042 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.96 119.28 14.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.968 HD12 HG23 ' A' ' 74' ' ' VAL . 3.4 pt -166.41 135.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.675 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.96 157.46 31.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.585 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 10.18 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.447 1.762 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 10.1 t90 72.88 -60.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.666 ' O ' HG23 ' A' ' 109' ' ' THR . 25.2 t70 -69.44 53.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 3.3 p -159.11 -56.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.99 HD22 ' HB3' ' A' ' 114' ' ' GLN . 65.3 mt 11.69 -106.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.66 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 145.45 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.614 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.62 -63.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.35 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 8' ' ' PRO . 6.0 m -50.34 -24.74 3.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.99 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.8 mp0 -85.74 -38.49 18.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.561 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -65.33 -40.6 93.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.612 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -60.76 -20.56 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.73 -10.38 40.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.057 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.695 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -87.44 7.21 30.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.943 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.417 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 19.4 p -92.47 121.37 66.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.999 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.466 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.04 121.36 6.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.579 1.831 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.759 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.8 p -148.4 -134.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.759 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.9 OUTLIER 35.48 89.22 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HB2' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.08 -31.36 6.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.553 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -96.62 -41.29 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.501 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -67.53 -6.34 19.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.763 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.49 -36.36 22.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.856 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.8 m-85 -89.78 2.07 55.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -110.73 -11.4 14.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 108.284 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -102.37 -42.17 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.556 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.23 171.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.48 15.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.852 HG21 ' SD ' ' A' ' 96' ' ' MET . 11.9 p -165.5 86.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.915 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.998 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -98.48 117.73 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.577 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -143.24 124.71 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.662 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.7 ttp180 -76.57 40.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.957 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.6 t -63.57 171.58 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.49 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 13.7 ptmt -125.08 120.53 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.862 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.7 102.69 14.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.901 HG12 HG11 ' A' ' 78' ' ' VAL . 3.4 m -105.23 -35.44 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.405 1.066 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -115.94 166.29 12.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.95 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.2 mp0 -150.56 -179.24 7.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.927 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -145.49 113.88 6.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.427 ' CG ' ' HE3' ' A' ' 41' ' ' LYS . 3.0 tt0 -74.38 93.0 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.543 HG13 ' HG2' ' A' ' 27' ' ' LYS . 27.4 m -106.42 122.64 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.241 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.54 160.89 18.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.563 ' OG ' HG21 ' A' ' 40' ' ' ILE . 2.2 t -148.16 19.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.601 1.188 . . . . 0.0 109.957 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.53 177.9 42.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.519 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 9.3 m-20 -85.19 164.5 18.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.2 t70 -95.72 -162.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.757 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.0 mp -79.7 0.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.31 -1.06 20.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.56 -8.74 76.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.145 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.0 p-10 -78.68 153.39 78.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.08 129.97 12.76 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.406 1.74 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.563 HG21 ' OG ' ' A' ' 31' ' ' SER . 52.5 mt -64.17 -78.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.631 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.1 tppt? 69.95 126.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.512 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -131.37 66.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.94 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -39.51 141.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.672 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.2 mm100 -83.65 -177.94 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.95 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.81 70.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.7 tt0 -63.6 67.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.957 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.3 pt -66.57 -177.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.49 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -118.74 -4.17 10.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.51 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 12.8 mm100 55.79 117.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.451 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -124.09 -35.76 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' HG12 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -143.97 163.36 33.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.508 ' CE ' ' O ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -144.07 64.69 1.31 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 20.7 m-85 -39.39 -81.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.402 1.064 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.632 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -119.32 72.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.11 -166.92 12.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.721 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.04 -176.17 2.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.432 1.754 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -92.0 -32.6 15.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.666 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -71.91 -80.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.666 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.5 t70 149.27 163.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.712 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.3 mm -106.14 -79.07 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.394 1.059 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 75.64 -8.35 1.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -145.98 95.89 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.905 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -100.66 171.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -123.49 148.69 45.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.807 HG21 ' CE2' ' A' ' 45' ' ' TYR . 9.8 t -166.23 -165.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.569 1.168 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -99.61 154.52 37.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.94 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.02 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.517 1.798 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.04 -174.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.938 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.749 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 1.4 p -47.59 -44.65 26.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.051 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 158.11 105.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.694 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -108.84 -37.61 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.811 ' O ' HG22 ' A' ' 99' ' ' THR . 19.2 m -130.28 20.69 5.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 108.255 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.775 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -161.96 -156.12 8.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.768 HG23 ' CD1' ' A' ' 104' ' ' ILE . 69.9 t -115.66 -4.01 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 32.44 85.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.018 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.11 133.1 48.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.597 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -113.79 -9.49 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.961 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.057 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 76.88 -42.28 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -56.92 -11.7 6.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.488 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -121.31 -32.46 1.05 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.536 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.79 -98.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.057 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.11 -74.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.945 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 10.7 mp0 -151.65 161.15 43.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.149 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.8 p90 -145.37 153.4 41.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.802 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -83.0 2.83 32.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.149 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.28 99.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.052 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.18 107.77 11.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.599 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.01 165.94 26.11 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.711 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.5 tttm -39.47 -31.96 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.07 -178.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.585 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.0 tm-20 -136.0 -42.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.42 -146.33 8.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.515 ' O ' ' CE ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -102.43 125.71 49.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 87.75 -3.31 86.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -167.54 139.03 3.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.351 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.852 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -137.21 -157.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.521 ' ND1' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -143.36 124.1 14.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 -179.948 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.018 HD12 HG13 ' A' ' 86' ' ' ILE . 1.2 pt -138.6 143.29 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -141.04 164.52 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.719 HD22 ' HA ' ' A' ' 72' ' ' CYS . 1.2 pt? -58.94 -49.9 76.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.586 ' H ' HD23 ' A' ' 100' ' ' LEU . 5.4 t -62.76 -13.33 31.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 108.362 179.95 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.437 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.3 t0 -92.71 166.66 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.052 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.28 115.63 9.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.808 HG23 ' O ' ' A' ' 103' ' ' PHE . 5.9 pt -163.99 133.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.506 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -155.31 157.99 31.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.571 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 4.65 4.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.802 ' HD1' HD12 ' A' ' 85' ' ' LEU . 2.0 t90 77.97 -56.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.603 ' O ' HG23 ' A' ' 109' ' ' THR . 12.6 t0 -70.6 50.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.66 ' O ' ' C ' ' A' ' 110' ' ' LEU . 19.6 p -159.49 -60.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.66 ' C ' ' O ' ' A' ' 109' ' ' THR . 93.7 mt 16.28 -106.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.618 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.6 m 149.72 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.26 -68.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 110.446 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.539 ' N ' HG22 ' A' ' 112' ' ' THR . 1.1 m -47.71 -24.21 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.804 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -85.84 -32.84 21.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.509 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -71.43 -42.52 68.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.361 179.962 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.553 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.11 -21.16 64.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -87.45 -14.4 40.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -76.64 -15.83 59.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.3 m120 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.231 -179.991 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -103.43 109.76 62.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.962 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.06 127.43 10.64 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.774 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -154.58 -133.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.774 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.4 p80 39.92 86.67 0.13 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.607 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.482 ' O ' HG22 ' A' ' 113' ' ' THR . 18.6 Cg_endo -74.94 0.9 8.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.543 1.812 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.546 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -138.07 -42.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.2 mt-30 -64.83 -4.52 4.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.803 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.21 -37.37 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.871 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.4 m-85 -87.21 -1.76 58.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 -179.922 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.1 m -106.76 -15.38 14.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 -179.987 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.06 -40.22 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.558 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -55.32 171.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -149.82 15.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 17' ' ' VAL . 7.3 p -166.77 89.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.984 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -101.14 119.51 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.678 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.01 125.28 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.653 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.7 mtp180 -76.38 37.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.833 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -58.56 169.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.53 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.9 ptmt -124.17 118.06 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.78 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.45 102.37 14.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.934 HG12 HG11 ' A' ' 78' ' ' VAL . 8.6 m -107.23 -31.96 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -117.46 164.0 15.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.952 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.9 mp0 -148.99 -179.84 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.642 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.9 ttpt -145.82 112.97 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.59 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 4.2 tt0 -74.93 92.23 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.557 HG13 ' HG2' ' A' ' 27' ' ' LYS . 34.9 m -107.21 116.08 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.496 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.3 m-20 -56.91 161.34 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.617 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.4 t -146.59 18.02 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.957 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.42 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 77.15 177.88 46.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.514 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.3 m120 -84.46 163.77 19.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.773 . . . . 0.0 109.33 179.927 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.7 t0 -95.05 -161.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.784 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.19 0.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.8 -1.47 19.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.59 -9.0 77.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.8 p-10 -77.74 153.57 80.82 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.778 . . . . 0.0 109.369 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.1 129.52 12.33 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.617 HG21 ' OG ' ' A' ' 31' ' ' SER . 63.4 mt -64.99 -79.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.59 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.2 tppt? 69.25 126.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.489 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -130.61 69.35 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.01 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.99 140.48 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.642 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 5.9 mm100 -82.28 -179.25 7.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.994 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.34 67.8 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.617 1.198 . . . . 0.0 110.968 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 11.4 tt0 -62.72 72.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.833 HD12 ' CG2' ' A' ' 21' ' ' THR . 1.9 pt -67.85 -167.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.643 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.9 ttpt -132.41 10.34 4.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.232 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.643 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 42.76 110.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.53 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -118.88 -29.4 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.51 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -151.91 169.96 21.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.574 ' HG3' HG22 ' A' ' 19' ' ' ILE . 2.7 ttm -146.32 70.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.106 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -41.88 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.973 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HB3' HG23 ' A' ' 18' ' ' VAL . 19.3 tptt -128.14 73.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.08 -155.93 8.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.54 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.07 -170.6 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -89.09 -35.35 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.36 -80.31 0.17 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 153.86 171.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.664 HG21 ' HG2' ' A' ' 96' ' ' MET . 1.8 mm -98.31 -69.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 72.36 -9.41 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.355 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.563 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -146.2 99.31 3.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 111.005 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.074 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -105.22 172.16 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.782 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -127.24 150.6 49.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.77 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.7 t -166.14 -163.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.378 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.89 154.52 37.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.01 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.7 Cg_endo -74.99 -161.3 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.396 1.735 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.06 -172.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.733 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 3.7 p -47.92 -46.88 32.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 156.88 106.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.721 ' O ' HD22 ' A' ' 100' ' ' LEU . 1.1 m -109.33 -43.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.711 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 85.7 m -124.0 30.55 6.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.058 . . . . 0.0 108.311 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.658 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -171.22 -160.12 18.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.845 HG23 HD12 ' A' ' 104' ' ' ILE . 97.2 t -115.06 0.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.504 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 31.03 84.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.437 1.086 . . . . 0.0 110.023 -179.991 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.054 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.4 133.13 49.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.473 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -117.92 -2.27 11.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.962 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.59 -53.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.373 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.75 -15.58 0.33 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.911 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.467 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -117.28 -31.59 1.66 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.523 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -104.91 -94.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 0.728 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.962 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.9 -66.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.378 -179.965 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -163.28 168.66 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.163 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -152.22 154.05 35.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.753 HD11 HG23 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -84.48 2.78 39.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.163 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 11.16 101.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.364 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.063 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.61 106.98 9.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.547 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.31 173.2 23.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.583 1.177 . . . . 0.0 111.023 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.702 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.9 tttm -40.62 -40.86 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.76 175.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.53 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.1 tp10 -132.86 3.78 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.31 -121.27 3.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -130.65 144.72 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 74.61 -0.16 56.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.15 139.77 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.745 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.53 -170.38 3.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.946 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.782 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -130.16 128.78 42.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.646 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.074 HD13 HG21 ' A' ' 63' ' ' ILE . 2.7 pt -138.4 143.61 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.562 ' O ' HD11 ' A' ' 104' ' ' ILE . 2.2 p -140.15 167.55 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.721 HD22 ' O ' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -65.79 -33.6 76.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.906 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -24.57 61.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.426 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.0 t0 -84.95 169.6 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.063 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -71.37 119.27 15.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.86 HG22 ' HA ' ' A' ' 86' ' ' ILE . 7.1 pt -165.14 137.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.753 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.18 158.59 32.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.222 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.6 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 10.27 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.653 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.3 t90 72.02 -60.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.635 ' O ' HG23 ' A' ' 109' ' ' THR . 51.2 t0 -70.0 52.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.652 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.6 p -158.12 -59.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.874 HD22 ' HB3' ' A' ' 114' ' ' GLN . 57.9 mt 14.0 -107.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.942 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.641 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 146.69 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.25 -66.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.522 ' N ' HG22 ' A' ' 112' ' ' THR . 14.2 m -48.42 -27.58 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.874 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.0 mp0 -83.94 -30.02 26.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 110.249 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.496 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -75.62 -40.83 55.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.546 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.14 -20.49 64.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.933 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.696 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -90.58 -13.04 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.015 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.106 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 50.2 mt -72.38 -29.96 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.5 p -112.98 106.48 55.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.91 125.29 9.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.722 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.2 p -149.61 -132.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.722 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.7 OUTLIER 36.74 87.4 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.629 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.67 ' O ' HG22 ' A' ' 113' ' ' THR . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.808 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.55 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 58.8 tp60 -138.91 -43.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.6 mt-30 -65.29 -4.75 5.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.825 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.43 -36.43 22.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.897 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -89.25 -1.56 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.68 -15.06 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 0.0 108.361 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.25 -39.93 9.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.549 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.57 172.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.02 15.77 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.931 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 3.5 p -165.64 87.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.004 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -100.26 119.96 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.582 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.95 123.22 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.75 ' HD2' HD11 ' A' ' 50' ' ' ILE . 2.1 ttm180 -75.7 39.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.414 1.072 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.916 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -60.39 172.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.569 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.8 ptmt -126.33 119.33 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.787 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.61 99.06 11.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.837 HG12 HG11 ' A' ' 78' ' ' VAL . 6.2 m -101.66 -35.72 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.488 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.6 t -115.09 164.24 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -146.72 -173.26 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.0 ttpt -153.09 119.04 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.39 1.056 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' C ' ' HZ2' ' A' ' 41' ' ' LYS . 6.2 tt0 -79.51 94.93 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.644 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 33.2 m -108.86 92.99 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.87 141.33 10.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.498 ' OG ' HG21 ' A' ' 40' ' ' ILE . 3.0 t -122.8 32.8 5.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.13 -171.45 0.58 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.547 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -86.19 164.79 17.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 0.811 . . . . 0.0 109.342 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.6 t0 -96.47 -160.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.771 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.5 1.93 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -107.64 -2.57 20.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.26 -6.86 82.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.547 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 11.7 p-10 -83.14 153.21 66.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.258 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 129.29 12.18 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.525 1.803 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.498 HG21 ' OG ' ' A' ' 31' ' ' SER . 65.3 mt -69.61 -80.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.99 ' HZ3' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER 71.77 121.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.541 ' N ' ' HE2' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -137.58 76.03 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 -179.995 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.99 HD12 ' HZ3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -49.89 153.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.746 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 5.6 mm100 -90.96 178.74 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.944 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.54 68.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.488 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.3 tt0 -63.25 71.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.916 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.2 pt -68.38 -168.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.605 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.7 ttpt -131.15 13.72 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 39.01 105.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.75 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -115.66 -27.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -151.62 161.61 42.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.473 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.05 78.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.969 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.776 ' CE2' HD22 ' A' ' 118' ' ' LEU . 10.7 m-85 -53.09 -69.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.846 ' HB3' HG23 ' A' ' 18' ' ' VAL . 3.8 tptt -133.25 165.18 25.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.538 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 126.31 -137.01 9.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 111.029 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.453 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.94 -167.84 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -112.3 -30.27 7.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.96 -78.31 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.3 t0 154.76 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.647 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -104.15 -72.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.8 mt-10 73.69 -9.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.314 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.544 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -146.24 97.99 3.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.547 1.154 . . . . 0.0 111.051 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.991 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -103.86 165.65 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.746 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 5.2 m-85 -120.68 146.03 46.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.92 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.901 HG21 ' CE2' ' A' ' 45' ' ' TYR . 10.1 t -164.65 -161.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.354 -179.93 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.659 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -105.61 146.13 32.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.968 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.03 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 65.92 -159.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.607 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 92.3 p -78.91 31.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.607 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 78.23 106.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.539 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -113.04 -38.98 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.659 ' H ' ' HB3' ' A' ' 66' ' ' ALA . 14.2 m -124.26 14.33 8.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.56 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.42 -154.65 6.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.941 HG23 HD12 ' A' ' 104' ' ' ILE . 68.6 t -111.36 -2.7 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.607 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 16.4 p 34.53 80.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.094 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.24 130.89 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.59 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.65 -10.67 11.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.926 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.017 HG22 ' O ' ' A' ' 82' ' ' LYS . 2.1 t 74.51 -15.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.631 1.207 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -75.05 -7.87 82.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.489 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -133.15 -31.0 0.45 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.528 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -97.76 -99.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.017 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 167.41 -72.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 16.8 mp0 -154.62 162.4 41.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.233 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.144 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -143.93 152.52 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.81 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.32 3.02 33.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.144 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.89 102.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.019 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -131.18 103.09 6.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.517 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -157.89 166.3 33.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -37.88 97.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.931 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -63.52 174.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.515 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.4 tp10 -124.47 4.29 8.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.95 -120.43 2.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.1 133.8 41.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 88.28 -3.28 85.49 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.647 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.44 143.25 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.731 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -147.98 -169.65 3.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.48 131.32 51.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.6 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.991 HD13 HG21 ' A' ' 63' ' ' ILE . 7.8 pt -142.79 143.79 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.597 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.8 OUTLIER -142.09 162.76 34.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -58.74 -43.16 90.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -63.96 -31.97 73.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.289 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.43 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.8 t0 -75.13 167.57 21.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.019 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -70.78 119.66 15.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.941 HD12 HG23 ' A' ' 74' ' ' VAL . 5.0 pt -165.99 134.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.584 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.79 157.53 31.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.578 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 7.12 3.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.675 ' CZ3' ' CZ ' ' A' ' 20' ' ' ARG . 3.3 t90 75.47 -57.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.599 ' O ' HG23 ' A' ' 109' ' ' THR . 10.5 t70 -69.7 50.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.706 ' O ' ' C ' ' A' ' 110' ' ' LEU . 13.1 p -158.65 -52.16 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.924 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.986 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.0 mt 6.03 -107.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.651 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.46 -41.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.041 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.622 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.04 -63.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.379 179.942 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 8' ' ' PRO . 5.2 m -49.82 -21.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.342 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.986 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.8 mp0 -88.92 -40.12 13.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.767 ' HA ' HD12 ' A' ' 118' ' ' LEU . 1.4 mtmt -65.84 -37.97 87.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.648 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.22 -20.98 64.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.595 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -89.94 -20.59 23.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.776 HD22 ' CE2' ' A' ' 53' ' ' PHE . 1.3 mt -78.61 -0.87 31.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.945 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 53.4 p -84.44 121.99 75.14 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.95 69.63 5.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.707 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -83.18 -134.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.707 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.8 OUTLIER 39.38 95.58 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.623 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.499 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -75.03 -33.69 4.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.454 ' NE2' ' HE3' ' A' ' 116' ' ' LYS . 2.5 tp60 -113.73 -33.99 5.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 0.0 110.368 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.438 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -61.92 -11.32 12.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.236 -179.978 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.8 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.17 -36.74 24.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.876 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -88.3 0.01 56.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.6 m -108.32 -11.45 15.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 108.318 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -101.01 -41.44 6.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.229 -179.94 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.626 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.56 170.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.603 1.189 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -148.73 14.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.79 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 9.2 p -165.65 88.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.011 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.75 116.51 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.68 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -141.33 124.77 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.658 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.3 mtp180 -76.25 39.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.892 HG21 HD12 ' A' ' 47' ' ' ILE . 2.7 t -60.37 177.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.6 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.3 ptmt -132.75 119.49 20.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.807 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.01 99.12 11.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.881 HG12 HG11 ' A' ' 78' ' ' VAL . 2.8 m -100.48 -37.51 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.565 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -105.54 170.72 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.948 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.548 ' HG3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -155.32 151.54 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.281 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.701 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.5 ttpt -124.62 105.13 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 1.4 tt0 -72.41 90.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.945 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.512 HG13 ' HG2' ' A' ' 27' ' ' LYS . 27.0 m -101.68 126.09 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.517 ' CG ' ' HZ3' ' A' ' 41' ' ' LYS . 3.1 m-20 -68.24 159.42 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.605 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.8 t -144.72 18.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.63 -179.81 43.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.51 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 7.3 m-20 -85.33 164.19 18.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.18 -161.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.784 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.77 -0.49 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -107.27 -0.37 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.23 -8.24 77.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.418 1.074 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.51 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.68 153.09 78.28 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.6 Cg_endo -75.01 128.66 11.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.605 HG21 ' OG ' ' A' ' 31' ' ' SER . 47.4 mt -64.63 -79.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.634 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 11.9 tppt? 69.19 125.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.531 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -129.97 67.78 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.937 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -38.81 145.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.775 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.9 mm100 -91.05 -179.88 5.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.987 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.7 OUTLIER -136.4 69.05 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.178 . . . . 0.0 111.004 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.565 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.6 tt0 -62.93 68.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.892 HD12 HG21 ' A' ' 21' ' ' THR . 2.7 pt -64.88 -170.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -129.56 2.01 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.497 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.3 119.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.647 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -126.98 -27.93 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.53 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -157.36 169.23 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.524 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -145.33 66.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.952 -179.952 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.112 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -36.95 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.622 ' HB3' HG23 ' A' ' 18' ' ' VAL . 2.0 tptt -127.93 69.8 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.85 -157.06 9.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.708 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.98 -174.87 2.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -92.53 -32.84 14.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.347 179.929 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -77.57 -80.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 151.39 169.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.617 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.3 mm -102.38 -72.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.542 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 75.1 -7.76 1.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.593 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -149.24 102.61 3.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.911 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.056 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -108.44 164.37 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.775 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 4.4 m-85 -117.51 152.97 33.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.987 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.9 t -169.81 -160.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.742 ' HB1' HG22 ' A' ' 71' ' ' VAL . . . -104.32 155.1 37.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.937 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.06 -159.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.47 1.773 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.93 -174.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.784 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 2.1 t -52.4 -32.17 37.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 149.34 108.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.742 HG22 ' HB1' ' A' ' 66' ' ' ALA . 1.3 m -110.05 -45.2 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.764 ' HA ' HD22 ' A' ' 100' ' ' LEU . 71.0 m -124.32 15.62 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.215 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.646 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -151.04 -158.41 8.3 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.78 HG23 ' CD1' ' A' ' 104' ' ' ILE . 52.9 t -114.24 -4.58 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.506 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 35.72 89.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.965 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -106.28 131.58 53.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.518 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -114.98 -6.24 12.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.946 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.948 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 70.78 -48.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 -179.971 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.463 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.43 -18.07 0.3 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.497 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.38 -34.97 1.14 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.555 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -97.05 -97.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 0.0 109.332 -179.956 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.948 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.58 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -159.37 164.2 34.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.16 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -146.67 153.89 40.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.591 1.182 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.764 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.66 3.55 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.16 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.76 102.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.031 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.47 112.12 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.426 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.41 -179.16 21.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.11 -34.62 14.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.79 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 81.63 173.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.534 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.1 tp10 -134.68 6.85 3.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.2 -123.65 4.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -128.47 144.02 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 78.58 -3.49 63.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.617 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.61 144.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.783 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.702 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.83 -169.18 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.961 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.55 129.87 48.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.6 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.056 HD13 HG21 ' A' ' 63' ' ' ILE . 2.2 pt -143.16 143.0 25.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.556 ' OG1' ' HB2' ' A' ' 102' ' ' ASP . 0.6 OUTLIER -138.95 166.67 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.764 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -62.09 -50.62 71.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.246 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.566 ' H ' HD23 ' A' ' 100' ' ' LEU . 5.3 t -62.63 -14.63 45.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.319 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.556 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.9 t0 -89.33 168.58 12.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.031 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -71.38 115.14 10.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.426 1.079 . . . . 0.0 111.015 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.832 HG23 ' O ' ' A' ' 103' ' ' PHE . 6.3 pt -164.6 135.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.703 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.75 158.34 32.18 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.612 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 11.54 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.658 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.9 t90 70.7 -61.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.632 ' O ' HG23 ' A' ' 109' ' ' THR . 48.1 t0 -69.12 52.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.659 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.6 p -157.92 -57.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.443 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.007 HD22 ' HB3' ' A' ' 114' ' ' GLN . 62.5 mt 14.17 -107.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 148.43 -42.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.05 -59.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.598 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 31.8 m -54.72 -22.96 15.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.446 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.007 ' HB3' HD22 ' A' ' 110' ' ' LEU . 2.5 mp0 -86.78 -34.43 19.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.543 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -69.48 -38.54 77.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.598 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 3.0 pttt -63.73 -17.12 62.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.697 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.23 -5.98 32.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.112 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 22.6 mt -75.85 -30.25 58.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.965 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.631 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.8 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.3 p -125.61 118.59 24.51 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.96 85.29 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.73 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.6 p -103.16 -133.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.73 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.7 p80 33.51 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.601 179.979 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.401 ' O ' HG22 ' A' ' 113' ' ' THR . 18.2 Cg_endo -74.96 3.4 5.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.58 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 39.6 tp60 -140.05 -41.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.502 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.9 -7.58 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.967 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.782 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.45 -35.26 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.859 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -90.51 7.78 37.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -117.16 -11.06 10.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 108.333 179.99 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.03 -38.14 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.642 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.51 173.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -148.97 11.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.664 HG21 ' SD ' ' A' ' 96' ' ' MET . 2.6 p -167.25 90.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.919 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -99.74 119.44 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.57 HD11 ' HE2' ' A' ' 96' ' ' MET . 0.6 OUTLIER -144.29 125.1 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.689 ' CZ ' ' CZ2' ' A' ' 107' ' ' TRP . 3.2 mtp180 -76.32 39.92 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.878 HG21 HD12 ' A' ' 47' ' ' ILE . 1.8 t -61.48 175.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.102 . . . . 0.0 110.404 -179.953 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.695 ' HG2' HG22 ' A' ' 50' ' ' ILE . 13.6 ptmt -130.35 119.69 23.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.838 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.34 101.53 13.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.928 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.894 HG12 HG11 ' A' ' 78' ' ' VAL . 2.8 m -103.61 -33.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.491 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.7 t -117.76 162.22 18.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -145.66 -174.56 4.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.97 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.635 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.2 ttpt -152.84 113.01 3.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.492 ' HG3' HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -75.67 90.6 2.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.234 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.546 HG13 ' HG2' ' A' ' 27' ' ' LYS . 21.2 m -99.46 83.41 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.74 143.07 2.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.491 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.0 t -127.06 32.02 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.96 -171.64 7.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.444 1.09 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.541 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -83.89 165.09 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.2 t70 -96.27 -162.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.765 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -79.74 0.91 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -107.63 -3.05 19.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.97 -6.92 83.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.541 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -80.63 153.35 73.28 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.506 0.768 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.05 128.2 11.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.46 1.769 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 31' ' ' SER . 36.8 mt -70.92 -94.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 40' ' ' ILE . 25.0 ttmt 73.73 125.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.489 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -129.58 68.62 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.952 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.992 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -37.96 143.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.635 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.7 mm100 -86.2 -177.73 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.964 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -138.69 65.3 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.949 -179.959 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.491 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 9.8 tt0 -60.49 71.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.878 HD12 HG21 ' A' ' 21' ' ' THR . 2.8 pt -67.41 -173.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.8 ttpt -125.76 -0.23 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.478 ' NE2' ' OD1' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 57.8 124.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.695 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -130.14 -30.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.52 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -156.14 169.83 23.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.448 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -145.62 70.16 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.996 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.966 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -39.76 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.974 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -133.05 65.12 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.09 -156.21 10.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.575 1.172 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.533 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.98 -166.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.598 1.841 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.53 -37.13 12.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.08 -82.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.953 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 6.2 t0 159.56 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.931 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.803 HG21 ' HG2' ' A' ' 96' ' ' MET . 1.2 mm -98.6 -72.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.373 179.947 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.582 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 73.01 -6.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.96 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.598 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -149.8 98.36 2.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.974 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.04 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -105.4 171.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.956 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.734 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -122.84 150.04 43.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 1.084 . . . . 0.0 110.971 -179.957 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.852 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.2 t -166.44 -171.2 1.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.381 179.936 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.916 ' HB1' HG22 ' A' ' 71' ' ' VAL . . . -100.15 150.36 36.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.992 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -75.0 -160.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.457 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 58.07 -165.03 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.972 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 95.1 p -74.93 43.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.054 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.702 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 71.1 104.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.916 HG22 ' HB1' ' A' ' 66' ' ' ALA . 1.4 m -106.9 -34.94 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.656 ' HA ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -134.4 14.77 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.267 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.702 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -149.07 -158.94 8.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.827 HG23 ' CD1' ' A' ' 104' ' ' ILE . 70.9 t -111.56 -1.44 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 0.771 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 74' ' ' VAL . 67.0 p 31.98 83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.142 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.41 132.83 49.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.583 ' C ' ' H ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -116.6 -8.74 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.233 -179.947 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.894 HG11 HG12 ' A' ' 24' ' ' VAL . 1.2 t 74.27 -29.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.583 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.14 -11.4 32.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.568 1.167 . . . . 0.0 110.991 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.477 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -127.79 -34.53 0.55 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.551 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -94.27 -101.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.833 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.42 -63.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.6 OUTLIER -162.21 167.15 24.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.18 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -151.03 153.79 35.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.445 1.09 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.728 HD11 HG23 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -83.52 3.58 31.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.238 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.18 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 9.83 103.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.016 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.66 106.76 8.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.586 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -157.39 170.92 34.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -48.76 97.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.648 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -52.43 178.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 32.0 tt0 -118.64 -34.41 4.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.946 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.523 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 149.86 51.5 0.02 OUTLIER Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.523 ' O ' ' O ' ' A' ' 92' ' ' GLY . 1.8 m-20 55.35 153.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 65.62 -3.68 2.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -179.78 140.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.803 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -147.8 -173.27 4.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.734 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.24 129.21 50.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.577 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.04 HD13 HG21 ' A' ' 63' ' ' ILE . 3.7 pt -140.03 138.19 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.593 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.6 p -136.92 168.08 20.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.656 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -63.17 -43.08 99.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -64.89 -26.26 68.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.294 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.485 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 2.9 t70 -81.83 169.69 16.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.016 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -73.11 119.14 16.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.995 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.872 HG23 ' O ' ' A' ' 103' ' ' PHE . 6.9 pt -165.76 136.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.387 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.728 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.0 158.39 32.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.9 11.09 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.409 1.741 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.689 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 17.5 t90 71.68 -62.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 107.961 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.638 ' O ' HG23 ' A' ' 109' ' ' THR . 8.6 t70 -69.67 53.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.689 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.2 p -158.26 -54.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.933 HD22 ' HB3' ' A' ' 114' ' ' GLN . 51.3 mt 8.55 -107.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 147.66 -39.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.617 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.29 -65.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.418 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.518 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 22.6 m -48.21 -27.4 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.465 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.933 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.5 mp0 -82.92 -35.94 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.239 -179.979 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -67.74 -42.68 81.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.518 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.76 -18.12 58.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.653 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.63 -15.33 26.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.964 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.966 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 93.9 mt -72.62 -28.47 62.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.369 179.893 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.8 p -114.13 110.37 48.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.454 1.765 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.718 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.1 p -140.48 -132.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.718 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.6 OUTLIER 33.97 84.49 0.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.628 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.715 ' O ' HG22 ' A' ' 113' ' ' THR . 18.0 Cg_endo -75.07 3.34 5.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.555 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 39.2 tp60 -138.23 -43.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.7 mt-30 -65.39 -5.77 8.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.221 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.827 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.45 -36.19 24.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.929 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -88.43 1.74 54.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.8 m -111.43 -14.63 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.356 179.961 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.4 -39.13 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.602 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -52.97 170.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.21 11.8 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.64 HG11 ' SD ' ' A' ' 96' ' ' MET . 10.8 p -165.7 93.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.982 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -103.15 119.4 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.535 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -143.14 126.4 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.922 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.688 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.2 mtp180 -77.34 37.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 179.942 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.859 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.6 t -61.09 166.3 3.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 18.4 ptmt -123.1 120.2 32.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.603 1.189 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.832 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.76 101.2 13.8 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.641 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.1 m -101.86 -35.23 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.3 t -119.2 165.38 14.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.4 mp0 -147.82 -174.64 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -153.2 118.35 5.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 7.6 tt0 -77.67 94.96 4.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.924 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.57 HG13 ' HG2' ' A' ' 27' ' ' LYS . 15.5 m -105.32 109.57 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 109.377 179.941 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.49 154.13 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.381 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.643 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -141.13 18.71 2.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 -179.969 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.405 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 73.6 178.7 37.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m120 -84.23 164.03 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.4 t0 -95.28 -161.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.771 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.12 0.14 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.391 179.895 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -107.98 -0.78 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.36 -8.71 76.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.527 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -78.35 153.03 79.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.261 -179.925 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.99 129.44 12.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.643 HG21 ' OG ' ' A' ' 31' ' ' SER . 58.1 mt -65.88 -79.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.605 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 14.0 tppt? 69.11 124.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.86 66.53 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.936 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.942 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.37 149.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 -179.959 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.749 ' NE2' ' CE1' ' A' ' 64' ' ' TYR . 6.5 mm100 -91.06 -178.97 5.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.929 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.2 70.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 -179.968 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.8 tt0 -65.02 66.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.57 1.168 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 1.014 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.5 pt -63.84 -170.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.936 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.61 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -128.38 10.22 6.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.61 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.1 tp-100 43.66 108.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.477 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -117.78 -26.16 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -158.0 167.36 30.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' PHE . 8.8 ptm -145.77 68.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.071 ' CE2' HD22 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -37.1 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.938 -179.939 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -127.03 74.79 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -130.01 -163.26 11.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.615 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.98 -172.39 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.793 . . . . 0.0 111.053 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.23 -37.61 21.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.63 -86.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 2.1 t70 151.6 163.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.057 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.3 OUTLIER -118.77 75.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.507 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -70.08 -5.68 28.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.248 179.979 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.541 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 7.5 m-85 -134.87 92.37 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.949 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -96.26 166.54 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.749 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 18.8 m-85 -117.26 147.41 42.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 111.065 179.953 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.836 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.4 t -164.77 -168.05 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.784 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -99.32 153.46 37.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.942 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -74.92 -161.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.99 -175.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.934 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.743 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 6.7 t -45.6 -46.93 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.798 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 158.72 101.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.597 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -105.97 -41.13 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.784 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 24.6 m -126.72 25.37 6.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 108.206 -179.944 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.798 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -166.95 -160.13 13.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.892 HG23 HD12 ' A' ' 104' ' ' ILE . 74.2 t -112.59 -4.97 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 33.88 82.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.903 179.937 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.023 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.19 132.29 48.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.592 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -112.59 -11.08 13.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.952 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.641 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.6 t 73.98 -15.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -75.85 -12.14 84.13 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.462 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -128.59 -22.37 1.32 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.524 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -104.43 -97.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 109.358 179.92 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.516 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 162.93 -58.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.516 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -167.64 169.86 11.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.107 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.7 p90 -152.64 152.78 32.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.744 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.77 2.58 37.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.107 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.53 102.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.055 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.16 109.34 11.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.89 174.01 23.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.685 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -46.42 -28.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 82.6 175.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.565 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 6.7 tp10 -132.67 -10.78 3.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.3 -125.1 2.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -124.77 144.5 50.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.746 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 75.35 -3.69 46.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.154 . . . . 0.0 110.949 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.828 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -177.92 138.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 0.799 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 96' ' ' MET . . . . . 1.057 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -133.34 -161.37 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.965 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.428 ' ND1' ' OE1' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -131.46 122.59 26.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.659 179.998 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.044 HD12 HG13 ' A' ' 86' ' ' ILE . 2.5 pt -138.02 134.74 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 72' ' ' CYS . 1.3 p -135.12 167.99 19.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 71' ' ' VAL . 0.3 OUTLIER -63.93 -31.98 73.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -24.86 58.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 108.282 -179.988 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.411 ' O ' HG12 ' A' ' 104' ' ' ILE . 10.0 t0 -85.31 168.05 15.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.055 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -69.92 118.27 12.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.892 HD12 HG23 ' A' ' 74' ' ' VAL . 6.6 pt -164.93 134.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.647 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.48 158.84 32.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 -179.945 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 17.9 Cg_endo -75.04 10.92 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.688 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.8 t90 71.4 -61.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.029 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 109' ' ' THR . 46.1 t0 -70.45 52.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.39 179.944 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.659 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -157.08 -58.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.466 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.008 HD22 ' HB3' ' A' ' 114' ' ' GLN . 56.1 mt 14.91 -107.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.654 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 146.37 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.947 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.622 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.03 -63.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 8' ' ' PRO . 3.4 m -50.76 -22.9 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 -179.951 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.008 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.3 mp0 -87.9 -34.73 18.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.926 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -70.19 -39.82 74.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.565 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.47 -14.82 45.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.43 -12.28 21.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.94 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.071 HD22 ' CE2' ' A' ' 53' ' ' PHE . 4.2 mt -86.87 1.71 51.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.999 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 4' ' ' SER . 1.7 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.464 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 23.4 p -94.53 112.4 57.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.2 7.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.458 1.767 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.764 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.3 p -148.6 -133.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.764 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.01 89.57 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.602 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.02 -29.09 8.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.582 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 39.2 tp60 -108.58 -27.12 10.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -76.79 -9.33 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 179.991 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.13 -35.95 25.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.913 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -90.83 6.95 42.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.961 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.4 m -116.04 -7.94 11.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.83 -39.25 6.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.628 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.04 171.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.67 14.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 88' ' ' GLY . 8.6 p -166.4 88.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.924 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.96 118.19 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 52' ' ' MET . 0.9 OUTLIER -142.15 125.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.625 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.9 ttp85 -77.19 40.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.937 HG21 HD12 ' A' ' 47' ' ' ILE . 2.5 t -62.73 176.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.518 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.2 ptmt -129.44 120.36 25.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.842 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.06 104.63 16.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.891 HG12 HG11 ' A' ' 78' ' ' VAL . 3.2 m -107.95 -35.28 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 5.4 t -115.31 161.27 18.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -143.42 -172.69 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 1.067 . . . . 0.0 110.245 -179.956 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.2 ttpt -154.86 118.24 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 2.7 tt0 -77.72 94.81 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.554 HG13 ' HG2' ' A' ' 27' ' ' LYS . 11.5 m -103.72 83.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.28 142.24 7.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.467 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -127.76 32.06 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.96 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 59.54 -170.45 6.09 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.515 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.2 m120 -84.02 165.66 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.594 0.82 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.8 t70 -95.97 -161.66 0.89 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.757 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -80.92 0.39 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -107.42 -1.17 21.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.87 -8.52 77.63 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.515 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.6 p-10 -79.08 153.47 77.3 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.96 129.93 12.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.778 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.467 HG21 ' OG ' ' A' ' 31' ' ' SER . 40.7 mt -73.79 -94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.531 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 28.7 ttmt 71.94 123.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -130.0 73.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.686 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -40.23 153.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.772 ' NE2' ' CE2' ' A' ' 64' ' ' TYR . 7.8 mm100 -94.08 -178.24 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 1.06 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.77 67.39 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.999 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.9 tt0 -62.15 70.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.937 HD12 HG21 ' A' ' 21' ' ' THR . 3.2 pt -67.36 -173.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.1 ttpt -123.6 -2.51 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.482 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 57.17 123.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.606 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -132.65 -33.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -147.8 164.23 34.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.944 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.553 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -145.58 67.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.968 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.762 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 20.5 m-85 -39.7 -77.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.569 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.24 71.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.53 -157.61 9.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.474 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.04 -173.22 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.812 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -83.76 -36.92 23.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.382 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -85.03 -78.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.1 t70 154.64 171.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.736 HG23 ' N ' ' A' ' 95' ' ' LYS . 2.0 mm -94.36 -72.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.593 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 73.57 -5.86 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -147.77 97.12 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.027 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -107.86 169.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.772 ' CE2' ' NE2' ' A' ' 44' ' ' GLN . 5.0 m-85 -122.01 157.85 30.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.922 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 65' ' ' THR . . . . . 1.06 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.9 t -174.9 -161.64 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.453 ' CB ' ' H ' ' A' ' 72' ' ' CYS . . . -92.65 153.11 42.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.686 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 -61.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.576 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -38.87 168.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.77 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 11.1 p -37.9 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 -179.942 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 152.11 95.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.576 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.8 OUTLIER -106.96 -44.35 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.882 ' O ' HG22 ' A' ' 99' ' ' THR . 8.3 m -118.01 18.35 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 108.317 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.601 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -160.18 -157.54 8.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.85 HG23 HD12 ' A' ' 104' ' ' ILE . 88.3 t -112.4 -18.25 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.362 179.909 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 50.03 86.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.958 -179.967 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.955 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -104.55 132.17 51.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.531 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.32 -4.96 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.049 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 74.12 -53.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.98 -15.41 0.55 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.52 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -115.8 -33.02 1.61 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.52 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -105.34 -97.04 0.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.049 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.85 -77.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.408 1.068 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 12.1 mp0 -150.2 157.73 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.143 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -142.45 154.5 44.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.415 1.072 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.813 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.54 0.64 45.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.143 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.37 99.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.034 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -123.97 107.15 11.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.841 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -156.02 163.92 32.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -44.57 95.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.677 ' HB2' ' HB ' ' A' ' 17' ' ' VAL . . . -50.48 -179.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.511 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 71.1 tt0 -120.13 -38.0 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.894 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.58 50.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.508 ' O ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 56.54 152.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.468 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 66.5 -3.22 3.71 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.42 1.075 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.736 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -179.62 140.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.637 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.58 -170.73 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.963 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.31 125.92 37.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.382 1.051 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.027 HD13 HG21 ' A' ' 63' ' ' ILE . 2.9 pt -136.45 148.54 27.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.882 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -145.57 166.66 25.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.369 179.989 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.731 HD23 ' H ' ' A' ' 101' ' ' CYS . 1.1 pt? -60.37 -49.13 78.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.731 ' H ' HD23 ' A' ' 100' ' ' LEU . 4.1 t -62.3 -21.21 65.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 108.323 179.992 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.4 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.3 t0 -84.01 167.85 16.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.034 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -72.09 116.59 12.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.945 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.85 HD12 HG23 ' A' ' 74' ' ' VAL . 5.1 pt -163.15 136.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.236 179.961 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.52 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -158.85 155.99 25.86 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.57 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.97 7.91 2.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.444 1.76 . . . . 0.0 111.048 179.932 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.791 ' HD1' HD12 ' A' ' 85' ' ' LEU . 2.2 t90 74.95 -57.93 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 108.032 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.614 ' O ' HG23 ' A' ' 109' ' ' THR . 18.2 t70 -69.23 50.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 17.0 p -159.59 -49.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 110.402 -179.945 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.047 HD22 ' HB3' ' A' ' 114' ' ' GLN . 46.4 mt 5.19 -107.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.639 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.9 m 148.06 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.627 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 157.57 -62.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 12.0 m -52.15 -25.81 9.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.39 1.056 . . . . 0.0 110.328 -179.966 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.047 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.4 mp0 -82.22 -37.65 25.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.952 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.667 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -68.21 -43.36 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.969 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.462 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -63.57 -14.48 51.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.618 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -95.21 -25.89 16.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.762 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -63.07 -28.83 70.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.407 ' OD1' ' HA ' ' A' ' 116' ' ' LYS . 2.2 p-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 13.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 . . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.4 p -71.68 110.91 8.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 179.927 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.3 Cg_endo -75.0 86.09 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 111.025 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.752 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.8 p -108.25 -133.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.752 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 40.01 88.04 0.1 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.02 -27.26 10.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.51 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 43.5 tp60 -113.48 -28.99 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -73.04 -6.39 45.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.777 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -85.1 -35.52 21.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.88 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -91.15 6.14 46.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 m -115.17 -10.04 12.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.294 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.42 -38.55 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.557 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.97 170.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.377 1.048 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.88 14.53 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.829 HG21 ' SD ' ' A' ' 96' ' ' MET . 12.4 p -165.87 89.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.0 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -100.68 117.58 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.556 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -144.26 125.0 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.954 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.658 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.5 ttp180 -76.16 39.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.841 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.5 t -60.12 168.67 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.349 -179.964 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.597 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.2 ptmt -123.12 120.37 33.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.783 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.47 98.42 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.913 HG12 HG11 ' A' ' 78' ' ' VAL . 6.7 m -101.5 -34.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -116.34 164.76 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.936 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.8 mp0 -150.13 -175.36 5.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.1 ttpt -153.27 113.48 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.482 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 2.7 tt0 -74.93 93.92 2.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.937 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.544 HG13 ' HG2' ' A' ' 27' ' ' LYS . 11.8 m -100.94 80.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.07 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.59 140.97 2.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.516 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.7 t -127.45 30.96 5.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.954 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.71 -170.26 6.45 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.547 1.154 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.549 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.6 m-80 -83.69 164.71 19.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.6 t0 -95.19 -161.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.886 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.768 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.9 -0.0 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -107.09 -1.17 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.59 -7.5 80.76 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.549 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.6 p-10 -79.97 154.06 75.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.99 129.18 12.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 31' ' ' SER . 34.3 mt -73.0 -94.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.482 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 20.4 ttmt 71.18 121.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.503 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -125.04 68.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 -179.951 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.049 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -38.57 145.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.78 ' NE2' ' CE1' ' A' ' 64' ' ' TYR . 6.7 mm100 -87.84 179.55 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 1.002 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.56 68.64 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.6 tt0 -63.34 69.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.841 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.5 pt -66.07 -167.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.65 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.5 ttpt -133.11 13.29 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.65 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.3 tp-100 40.75 109.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.491 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -118.08 -25.9 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -154.01 165.61 35.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.408 ' HG3' ' CG2' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -146.82 64.28 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 111.029 179.961 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 15.8 m-85 -39.94 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.544 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -123.39 73.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.955 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.04 -157.44 9.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.646 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.05 -171.95 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.425 1.75 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -92.73 -34.78 13.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 110.251 -179.996 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.71 -80.44 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.535 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t0 153.67 170.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.649 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.3 mm -102.37 -74.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.541 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 75.05 -8.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.26 179.966 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.584 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -147.54 96.74 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.971 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -106.3 167.61 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.992 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.78 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 5.6 m-85 -118.52 150.52 39.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.971 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 4.9 t -165.1 -172.69 2.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.463 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.685 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -101.32 147.42 33.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.049 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.05 -160.25 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER 56.61 -171.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -68.87 54.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.96 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.825 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 56.08 96.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.95 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.66 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -103.16 -32.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.695 ' HA ' HD22 ' A' ' 100' ' ' LEU . 14.0 m -133.39 11.63 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 -179.965 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.825 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -151.95 -155.54 7.07 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.893 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.832 HG23 HD12 ' A' ' 104' ' ' ILE . 73.9 t -112.88 -3.76 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 0.8 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.511 ' O ' ' OG ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 35.56 84.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.982 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.061 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.81 128.75 53.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.571 ' C ' ' H ' ' A' ' 79' ' ' GLY . 0.1 OUTLIER -115.55 -9.0 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.96 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.958 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.8 t 74.01 -18.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.571 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -72.8 -9.75 75.63 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.493 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -131.65 -31.25 0.51 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.554 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -96.95 -99.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.958 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.59 -68.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -157.84 163.23 38.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.113 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.8 p90 -147.14 151.79 37.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.816 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -82.42 2.72 31.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.167 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.113 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.95 99.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.037 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.39 106.35 9.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.539 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.68 172.51 23.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.682 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 3.1 tttm -45.79 -31.11 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 82.43 179.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.591 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -131.08 -37.49 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 171.48 -132.39 2.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.13 134.93 54.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.94 1.89 75.08 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -173.16 139.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 0.778 . . . . 0.0 109.342 179.92 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.829 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -139.85 -160.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 -179.995 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.2 125.87 22.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.187 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.014 HD12 HG13 ' A' ' 86' ' ' ILE . 2.5 pt -139.66 139.98 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -138.62 165.15 27.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.132 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.695 HD22 ' HA ' ' A' ' 72' ' ' CYS . 1.2 pt? -58.51 -46.23 87.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 1.7 t -62.32 -32.6 73.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 108.327 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.426 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.0 t0 -73.99 165.49 25.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.037 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.59 116.39 10.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 111.063 179.999 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.832 HD12 HG23 ' A' ' 74' ' ' VAL . 7.0 pt -163.36 134.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.558 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.05 157.15 32.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.589 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.6 Cg_endo -74.94 10.47 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.816 ' HD1' HD12 ' A' ' 85' ' ' LEU . 1.8 t90 72.24 -59.77 0.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 107.977 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.629 ' O ' HG23 ' A' ' 109' ' ' THR . 67.2 t0 -68.33 51.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.671 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.4 p -158.72 -56.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.018 HD22 ' HB3' ' A' ' 114' ' ' GLN . 72.0 mt 13.31 -106.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.66 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 145.54 -41.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.11 -63.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.392 179.935 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.624 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 16.7 m -51.54 -23.19 3.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.183 . . . . 0.0 110.454 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.018 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.6 mp0 -85.97 -37.96 18.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 110.346 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.557 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -65.95 -42.11 90.41 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.624 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -60.11 -21.27 61.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.937 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.648 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.54 -12.24 35.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.055 179.982 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.595 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -85.43 -5.35 59.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.922 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.542 ' C ' ' OD1' ' A' ' 119' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.457 ' O ' HD11 ' A' ' 100' ' ' LEU . 1.7 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -99.86 115.14 65.82 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 89.03 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.726 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.1 p -112.81 -132.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.726 ' N ' HG13 ' A' ' 6' ' ' VAL . 2.2 p80 35.83 82.82 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.581 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.546 ' O ' HG22 ' A' ' 113' ' ' THR . 18.1 Cg_endo -75.03 8.63 2.34 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.537 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 2.5 tt0 -142.0 -45.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.445 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -61.68 -8.59 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.811 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.67 -34.04 30.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -91.01 6.73 43.63 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.8 m -116.57 -10.18 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.968 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.4 -38.79 7.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.672 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -52.82 167.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -149.27 15.39 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 17' ' ' VAL . 12.2 p -164.96 82.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.013 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.08 120.52 45.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.702 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.8 pt -145.45 125.09 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.701 ' HD2' HD11 ' A' ' 50' ' ' ILE . 2.6 ttm180 -77.49 41.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.954 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.861 ' CG2' HD12 ' A' ' 47' ' ' ILE . 1.4 t -64.32 173.05 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 11.7 ptmt -125.06 119.43 28.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.89 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -95.37 101.02 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.031 HG12 HG11 ' A' ' 78' ' ' VAL . 17.0 m -106.94 -35.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.3 t -111.78 159.23 18.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 110.016 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.0 mp0 -146.76 -179.13 6.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.685 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.3 ttpt -148.24 116.12 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 15.4 tt0 -76.04 98.23 4.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 29' ' ' VAL . 30.8 m -113.11 103.55 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.941 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.25 156.49 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.489 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.5 t -138.2 15.5 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.13 179.75 50.76 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.54 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.4 m120 -83.44 162.3 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.79 . . . . 0.0 109.378 179.93 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.7 t0 -94.69 -161.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.78 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.19 1.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.39 -1.22 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.37 -8.55 76.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.571 1.169 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.54 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.1 p-10 -79.21 153.57 76.99 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.08 130.26 13.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.489 HG21 ' OG ' ' A' ' 31' ' ' SER . 87.0 mt -69.06 -82.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HG2' ' HG3' ' A' ' 67' ' ' PRO . 15.2 ttmm 70.98 128.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.48 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -133.24 65.6 1.58 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.596 1.185 . . . . 0.0 110.284 -179.962 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.914 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -36.63 151.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.743 ' NE2' ' CE2' ' A' ' 64' ' ' TYR . 6.8 mm100 -92.02 177.61 6.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.977 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -134.65 67.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 -179.965 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 8.6 tt0 -63.12 69.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.292 -179.924 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.89 HG22 ' CA ' ' A' ' 23' ' ' ALA . 2.3 pt -66.77 -171.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.4 OUTLIER -125.83 0.27 7.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER 52.01 114.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.701 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -124.6 -31.15 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -147.93 161.57 41.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.557 ' HA ' HG22 ' A' ' 19' ' ' ILE . 12.4 ptt? -145.23 71.28 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.008 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 21.8 m-85 -42.78 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.62 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -126.83 73.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.52 -159.07 9.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.471 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.0 Cg_endo -75.05 179.45 6.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.54 -34.54 35.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 -179.968 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.11 -80.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.8 t70 153.68 171.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.962 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.643 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.6 mm -97.24 -72.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.557 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.09 -8.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.959 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -148.03 99.0 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.068 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.31 170.21 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.743 ' CE2' ' NE2' ' A' ' 44' ' ' GLN . 6.0 m-85 -124.54 147.67 48.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.809 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 10.1 t -164.98 -164.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.485 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -99.81 155.04 36.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.914 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -74.98 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.541 1.811 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.61 -176.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.75 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 41.6 t -46.33 -41.99 14.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 155.24 114.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.613 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -118.62 -46.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.672 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 4.2 m -114.95 10.19 16.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.36 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.646 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -155.32 -153.47 6.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.836 HG23 ' CD1' ' A' ' 104' ' ' ILE . 93.6 t -116.31 -4.08 11.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 34.92 86.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.994 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.044 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.85 131.25 51.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.578 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -111.16 -10.09 14.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.04 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.1 t 75.79 -45.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -55.84 -9.66 2.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.484 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -122.37 -28.24 1.51 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.524 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -108.51 -96.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.04 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 167.81 -75.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 16.0 mp0 -154.48 154.79 33.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.156 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.9 p90 -134.49 154.27 51.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.722 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.33 3.21 36.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.156 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.42 99.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 -179.941 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.013 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -122.7 108.92 13.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.583 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.14 179.59 19.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.559 1.162 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.1 mtpp -54.24 -30.45 50.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.39 178.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.525 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.0 tp10 -137.37 -42.96 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.595 ' O ' ' O ' ' A' ' 95' ' ' LYS . . . 165.37 126.89 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.593 ' C ' ' O ' ' A' ' 92' ' ' GLY . 1.5 m-20 -24.84 134.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 86.05 -3.92 86.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.454 1.096 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.643 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -176.54 140.83 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.702 ' HE3' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.3 -170.01 3.4 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.568 1.167 . . . . 0.0 111.08 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 128.21 44.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.608 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.068 HD13 HG21 ' A' ' 63' ' ' ILE . 2.1 pt -140.33 142.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -140.02 170.58 15.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.555 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.6 OUTLIER -65.21 -44.23 89.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.935 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.481 ' H ' HD23 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -64.99 -22.27 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.957 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -84.69 167.86 15.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.957 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -72.36 117.21 13.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.586 1.179 . . . . 0.0 110.989 -179.964 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.836 ' CD1' HG23 ' A' ' 74' ' ' VAL . 7.2 pt -163.13 134.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.644 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.04 156.88 30.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.64 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.03 12.1 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.558 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.8 t90 70.36 -61.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.619 ' O ' HG23 ' A' ' 109' ' ' THR . 15.4 t70 -69.49 51.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 179.955 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.3 p -157.36 -57.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 -179.937 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.914 HD22 ' HB3' ' A' ' 114' ' ' GLN . 40.0 mt 9.87 -105.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.624 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.9 m 149.3 -42.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.024 -179.997 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.563 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.73 -67.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.427 1.079 . . . . 0.0 110.471 -179.99 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.552 ' N ' HG22 ' A' ' 112' ' ' THR . 1.4 m -49.68 -26.21 3.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.949 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.914 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.0 mp0 -80.01 -37.11 34.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.635 ' HA ' HD23 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -68.41 -46.68 69.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.983 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.537 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.19 -17.32 57.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.506 ' HB3' ' CB ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -102.34 -21.45 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.05 179.935 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.008 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -90.91 -16.69 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 116' ' ' LYS . 46.9 p30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.681 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.8 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.3 p -141.0 114.86 7.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.442 ' CB ' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.05 73.35 4.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.737 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.2 p -83.31 -133.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.737 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.9 OUTLIER 33.41 91.85 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.597 179.974 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 1.08 8.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.521 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 40.7 tp60 -137.46 -41.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.556 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.29 -9.41 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.739 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.79 -33.64 27.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.869 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -91.05 3.8 53.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.388 1.055 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -112.67 -10.96 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 108.253 -179.966 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -102.12 -41.78 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.548 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -52.68 173.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 88' ' ' GLY . 4.4 m-20 -153.17 16.75 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.403 1.064 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 17' ' ' VAL . 14.0 p -164.45 83.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.038 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -97.27 119.56 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.595 HG22 ' HA ' ' A' ' 52' ' ' MET . 1.1 pt -146.6 124.06 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.62 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 13.6 ttp180 -76.1 41.33 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.915 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.5 t -62.42 170.2 2.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 110.435 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.9 ptmt -123.76 118.76 27.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.088 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.787 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.78 96.31 10.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.635 ' CG1' HG11 ' A' ' 78' ' ' VAL . 11.2 m -101.09 -34.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.507 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -115.53 163.78 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.8 mp0 -150.64 -179.18 7.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.7 ttpt -145.0 111.85 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.963 ' HG3' HD11 ' A' ' 43' ' ' ILE . 17.7 tt0 -73.26 94.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.437 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 23.2 m -111.59 122.69 66.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.249 -179.935 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.404 ' CG ' ' HZ1' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -71.96 155.93 39.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.999 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.525 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.0 t -137.86 23.73 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' ILE . . . 76.41 -179.51 48.44 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.9 m-20 -84.5 163.89 19.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.9 t0 -96.12 -161.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.782 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.95 0.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -109.19 -0.22 19.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.34 -9.5 72.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -77.35 153.72 81.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.52 0.776 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.01 129.94 12.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.548 1.815 . . . . 0.0 110.969 -179.942 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 31' ' ' SER . 55.9 mt -66.08 -86.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 18.5 ttmm 74.55 128.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.994 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.544 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -131.18 65.36 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 110.257 -179.915 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.971 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -35.77 142.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.786 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.2 mm100 -84.59 178.01 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.894 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.58 68.22 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.4 tt0 -62.83 69.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.915 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.0 pt -65.79 -168.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.655 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -131.82 14.39 4.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.655 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.3 tp-100 38.14 107.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.202 179.915 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.53 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -116.93 -27.62 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.957 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 19' ' ' ILE . 1.8 tttt -150.7 165.16 34.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.595 ' HA ' HG22 ' A' ' 19' ' ' ILE . 3.2 ptp -146.21 66.44 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.653 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 17.0 m-85 -42.61 -79.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.601 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -124.37 73.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.08 -157.45 9.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -74.96 -173.99 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.12 -35.33 21.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -84.5 -78.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.363 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 153.94 171.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.788 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.5 mm -97.58 -71.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.539 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 3.1 mt-10 73.19 -8.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.0 m-85 -144.97 95.98 2.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.001 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -102.22 167.0 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.786 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 5.7 m-85 -123.48 145.39 48.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 111.07 179.922 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.77 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.7 t -161.57 -167.54 1.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.438 179.981 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.534 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -103.8 150.94 38.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.971 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -159.94 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.051 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.433 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.56 -159.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.045 -179.981 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.702 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 28.4 t -82.06 29.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.72 ' HB2' ' HB2' ' A' ' 75' ' ' SER . . . 86.85 96.46 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.501 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -102.52 -36.6 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 99' ' ' THR . 48.0 m -132.69 22.92 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 108.275 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.636 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -158.06 -159.08 9.35 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.961 HG23 HD12 ' A' ' 104' ' ' ILE . 78.9 t -111.84 0.02 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.72 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 28.2 81.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 180.0 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.948 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.62 129.44 49.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.242 -179.915 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.567 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -106.43 -7.83 17.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.917 HG22 ' O ' ' A' ' 82' ' ' LYS . 2.5 t 69.83 -52.7 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.7 -15.62 0.16 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.488 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.35 -30.0 1.81 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.567 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -102.21 -94.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.917 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.99 -85.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.934 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.59 ' O ' ' O ' ' A' ' 106' ' ' PRO . 8.1 mp0 -151.12 149.82 29.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.162 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -127.04 154.12 45.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.827 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -85.23 5.41 30.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.943 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.162 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 8.4 102.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.048 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.36 109.71 13.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.569 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.0 -178.15 16.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.076 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 35.2 mtmt -60.24 -14.6 18.7 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.491 0.76 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.586 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 71.13 -177.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.528 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 12.7 tp10 -128.95 -41.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.534 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.14 55.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.534 ' O ' ' O ' ' A' ' 92' ' ' GLY . 1.3 m-20 54.69 155.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.59 0.818 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 63.53 -4.08 1.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.788 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -179.71 143.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.697 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -147.41 -171.47 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.932 -179.977 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.62 128.04 44.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.543 -179.942 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.001 HD13 HG21 ' A' ' 63' ' ' ILE . 6.3 pt -138.43 137.9 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.658 ' O ' HD11 ' A' ' 104' ' ' ILE . 5.0 p -139.42 163.17 33.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.397 179.936 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.681 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -63.66 -22.54 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.33 -24.45 29.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.441 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.9 t0 -87.27 172.78 9.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.048 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -72.5 118.54 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.961 -179.965 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.961 HD12 HG23 ' A' ' 74' ' ' VAL . 5.9 pt -164.89 136.99 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.557 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -157.94 156.53 28.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.59 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.4 Cg_endo -75.03 9.98 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.827 ' HD1' HD12 ' A' ' 85' ' ' LEU . 2.0 t90 71.84 -58.28 0.59 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 108.051 -179.961 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 109' ' ' THR . 51.6 t0 -68.57 51.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 10.8 p -159.16 -51.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.932 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.007 HD22 ' HB3' ' A' ' 114' ' ' GLN . 53.2 mt 5.88 -106.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.665 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.2 m 143.83 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 -179.944 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.611 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.88 -61.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.987 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.576 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.0 m -51.53 -23.71 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.007 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.3 mp0 -87.46 -37.64 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.627 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.2 mtmt -67.31 -39.88 85.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.576 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.15 -14.08 33.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.591 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.86 -10.53 22.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 110.005 -179.988 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.653 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -86.46 2.42 47.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.364 -179.981 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -179.969 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.42 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 95.0 p -90.07 125.45 60.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.456 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.0 Cg_endo -75.06 96.23 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.449 1.763 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.74 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -119.57 -132.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.74 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 38.45 82.01 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.59 -180.0 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 1.72 7.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.399 1.736 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.503 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.0 OUTLIER -135.94 -43.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.956 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.432 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -65.33 -6.37 9.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.765 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.2 -34.22 23.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.893 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.7 OUTLIER -92.49 9.53 34.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m -119.42 -10.1 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.075 . . . . 0.0 108.325 -179.959 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.48 -40.02 6.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.544 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.35 173.74 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -152.88 16.71 0.57 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.74 HG23 ' HD3' ' A' ' 56' ' ' PRO . 12.0 p -165.82 84.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.065 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -97.9 116.72 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.922 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.633 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -142.18 126.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.652 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.8 mtm180 -78.36 38.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.974 HG21 HD12 ' A' ' 47' ' ' ILE . 2.6 t -60.72 171.96 1.04 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 16.1 ptmt -124.47 119.48 29.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.861 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.6 99.05 11.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.567 ' CG1' HG11 ' A' ' 78' ' ' VAL . 8.6 m -103.49 -35.33 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.521 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.5 t -113.97 163.12 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.606 1.191 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -145.38 -174.1 4.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.96 119.05 5.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -78.4 93.51 4.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' HG2' ' A' ' 27' ' ' LYS . 12.2 m -102.75 99.69 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.536 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -49.7 147.56 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.653 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -133.86 16.12 3.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.29 -174.63 37.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.9 m-20 -83.7 165.19 19.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 0.786 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.2 t0 -95.63 -161.16 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.765 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -81.51 0.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -108.46 -1.19 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.2 -8.75 77.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.3 p-10 -78.58 154.96 78.83 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.08 129.26 12.11 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.653 HG21 ' OG ' ' A' ' 31' ' ' SER . 48.1 mt -70.21 -83.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.542 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.21 122.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.455 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 3.2 ptt180 -130.87 71.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.414 1.071 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.817 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -43.57 149.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.4 mm100 -89.45 -175.3 4.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.881 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.26 69.36 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.984 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.521 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.5 tt0 -62.7 68.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.974 HD12 HG21 ' A' ' 21' ' ' THR . 3.1 pt -67.48 -175.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.377 179.931 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 49' ' ' GLN . 1.6 ttpt -119.39 -5.1 10.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.516 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 15.4 mm100 53.55 109.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.527 HD13 ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -119.21 -33.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.47 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -144.92 160.72 40.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.489 ' O ' ' CG ' ' A' ' 52' ' ' MET . 2.0 ptt? -141.58 69.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.108 ' CE2' HD22 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -36.46 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 111.026 179.964 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 18' ' ' VAL . 3.7 tptt -128.1 73.85 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -122.89 -166.15 12.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.383 1.052 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.74 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.01 -172.29 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.88 -32.31 13.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.65 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -72.58 -77.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.397 1.06 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.65 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.7 t70 144.32 163.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 -179.906 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.864 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -105.22 -77.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.512 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 73.77 -7.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 110.284 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -143.99 98.85 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 179.992 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.017 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -103.85 172.44 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -122.93 156.04 35.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 111.059 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.874 HG21 ' CE2' ' A' ' 45' ' ' TYR . 4.9 t -176.63 -170.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.451 -179.949 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.506 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -88.16 155.48 52.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.817 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.6 Cg_endo -74.91 -60.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 111.044 179.952 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.535 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.5 OUTLIER -41.76 170.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.71 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 13.6 p -35.68 -40.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.782 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 159.43 89.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.672 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -96.82 -38.84 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.845 ' O ' HG22 ' A' ' 99' ' ' THR . 15.3 m -129.55 25.39 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 108.211 -179.888 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.782 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -165.21 -158.15 10.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.088 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.958 HG23 HD12 ' A' ' 104' ' ' ILE . 64.3 t -114.97 -11.92 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.489 ' CA ' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 38.23 80.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.954 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.47 131.04 49.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.507 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.6 p30 -104.17 -7.75 19.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 82' ' ' LYS . 3.3 t 70.13 -52.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.84 -11.95 0.4 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -120.25 -23.65 2.88 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -110.66 -92.0 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 109.366 179.913 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.73 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.33 -86.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.57 ' O ' ' O ' ' A' ' 106' ' ' PRO . 8.0 mp0 -150.96 147.33 27.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.17 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.8 p90 -124.64 154.88 40.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.746 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.67 4.19 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.933 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.17 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.08 102.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.065 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -128.48 108.98 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.569 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.11 174.04 23.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.642 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -44.19 -34.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.78 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.654 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 81.16 176.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.518 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.1 tp10 -134.31 5.3 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.24 -119.31 2.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.92 142.88 49.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 77.4 -1.49 65.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.83 137.99 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 109.329 -179.971 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.864 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -142.81 -168.82 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.909 -179.964 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.85 130.83 45.75 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 0.0 109.551 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.017 HD13 HG21 ' A' ' 63' ' ' ILE . 14.1 pt -142.27 137.2 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -135.3 160.96 36.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 110.466 179.995 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.709 HD23 ' H ' ' A' ' 101' ' ' CYS . 1.4 pt? -54.83 -49.02 72.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.709 ' H ' HD23 ' A' ' 100' ' ' LEU . 6.7 t -60.77 -31.32 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 108.324 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.46 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.6 t0 -73.9 166.99 22.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.038 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -70.83 118.07 13.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 179.983 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.958 HD12 HG23 ' A' ' 74' ' ' VAL . 4.0 pt -165.66 135.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.632 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.44 155.82 29.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.581 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.0 11.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.573 1.828 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.643 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 11.0 t90 71.02 -59.09 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.652 ' O ' HG23 ' A' ' 109' ' ' THR . 21.2 t0 -68.81 51.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.684 ' O ' ' C ' ' A' ' 110' ' ' LEU . 6.5 p -159.19 -54.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.022 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.2 mt 8.66 -107.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.9 m 145.94 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.613 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.68 -64.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.17 . . . . 0.0 110.433 179.989 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.533 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 18.4 m -48.15 -22.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.022 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.2 mp0 -89.12 -36.15 15.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 1.052 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -68.27 -39.03 82.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.533 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.58 -24.91 66.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -88.84 -11.91 43.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.958 -179.943 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.108 HD22 ' CE2' ' A' ' 53' ' ' PHE . 10.8 mt -84.65 -0.4 53.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.986 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 101' ' ' CYS . 1.6 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.7 p -121.34 107.2 37.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 179.982 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 126.82 10.17 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.762 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -153.77 -134.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.762 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.9 p80 32.28 85.38 0.15 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.075 . . . . 0.0 109.599 179.985 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.46 4.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.567 1.825 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' OE1' ' HE2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -137.83 -45.06 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -63.06 -7.21 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.86 -33.2 27.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.877 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -92.58 7.84 41.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.967 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.9 -8.66 10.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 108.271 179.98 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.45 -39.22 6.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.597 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.77 171.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -151.43 16.52 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.791 HG23 ' HD3' ' A' ' 56' ' ' PRO . 11.2 p -164.95 84.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.006 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -98.05 119.27 45.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.955 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.604 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.0 OUTLIER -145.74 125.46 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.245 -179.992 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.674 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.0 mtp180 -77.58 41.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 110.351 179.958 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.931 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.3 t -63.35 169.93 3.35 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.96 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 15.1 ptmt -124.02 120.64 33.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.882 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.11 105.38 17.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.896 HG12 HG11 ' A' ' 78' ' ' VAL . 3.8 m -108.89 -37.45 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.52 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -111.83 164.29 13.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.9 mp0 -149.84 -177.98 6.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.9 ttpt -148.52 111.94 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.676 ' HG3' HD11 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -74.37 93.52 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 29' ' ' VAL . 32.6 m -109.0 101.84 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.462 ' CG ' ' HZ3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -56.63 151.28 14.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.963 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.9 t -132.8 24.01 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 72.44 -177.07 40.83 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.2 m-80 -84.67 163.51 19.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.376 0.692 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.7 t0 -95.11 -161.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -81.2 -0.46 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.228 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -107.18 -1.37 21.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.09 -8.65 77.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.43 1.081 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -78.14 152.37 79.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 0.793 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.98 128.21 11.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.436 HG21 ' OG ' ' A' ' 31' ' ' SER . 24.4 mt -66.75 -89.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.503 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 20.6 ttmm 73.02 126.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -129.96 66.44 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.984 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.004 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -37.2 143.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.793 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.2 mm100 -85.22 178.82 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.205 -179.883 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.971 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.23 67.68 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.063 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.52 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.5 tt0 -62.51 69.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.931 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.4 pt -67.56 -174.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 49' ' ' GLN . 10.0 ttpt -120.58 -3.78 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.494 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 14.2 mm100 52.95 111.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 179.94 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.432 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -119.5 -33.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.544 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -144.87 162.27 37.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.51 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -142.36 66.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.954 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 1.11 ' CE2' HD22 ' A' ' 118' ' ' LEU . 1.1 m-85 -35.0 -80.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.566 ' C ' ' HD2' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -127.93 73.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 17' ' ' VAL . . . -121.21 -161.35 11.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.791 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.96 -173.56 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.558 1.82 . . . . 0.0 110.999 179.947 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -91.74 -33.37 15.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.598 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.53 -85.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.944 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.598 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.5 t70 158.53 166.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.591 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -106.69 -80.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.237 -179.997 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.2 mt-10 72.85 -8.18 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.567 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -141.85 91.58 2.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.936 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -99.86 172.07 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.793 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 8.8 m-85 -123.76 157.99 32.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.88 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.8 t -172.26 -168.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.1 150.8 39.2 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.004 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.02 -159.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 55.9 -170.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 0.0 109.969 179.991 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.9 p -69.33 54.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.746 ' HB2' ' OG ' ' A' ' 75' ' ' SER . . . 56.12 100.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.536 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -109.13 -38.69 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.762 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 19.9 m -124.69 18.87 8.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.986 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.6 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -158.81 -158.09 8.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.05 HG23 HD12 ' A' ' 104' ' ' ILE . 21.9 t -111.37 2.3 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.746 ' OG ' ' HB2' ' A' ' 70' ' ' ALA . 86.3 p 29.91 84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.061 -179.954 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.156 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.59 133.89 49.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.482 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -123.38 0.24 8.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.03 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.56 -54.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.173 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.64 -12.44 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -118.77 -32.14 1.35 Allowed Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.527 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -108.4 -94.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 0.765 . . . . 0.0 109.375 179.91 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 1.03 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.25 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.532 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -154.94 162.73 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.156 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.5 p90 -147.72 152.29 37.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.746 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.33 4.07 28.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.143 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.77 100.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.398 -179.958 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.041 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.24 107.3 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.238 -179.906 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.698 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.35 168.35 26.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.574 1.171 . . . . 0.0 110.961 179.942 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.687 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.8 tttm -39.41 -34.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.31 175.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.543 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 10.5 tp10 -131.53 1.56 4.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.84 -123.2 3.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.75 142.69 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 80.43 -6.8 59.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.591 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -173.11 145.53 1.35 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.694 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.24 -169.75 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.981 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.69 131.11 51.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 -179.972 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.936 HD13 HG21 ' A' ' 63' ' ' ILE . 12.3 pt -141.57 136.11 31.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.713 ' O ' HD11 ' A' ' 104' ' ' ILE . 5.5 p -135.18 159.07 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.497 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -59.5 -25.93 64.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -78.54 -33.93 47.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.997 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.431 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.0 t0 -76.69 171.67 14.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.041 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -71.76 119.17 15.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.939 -179.972 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.05 HD12 HG23 ' A' ' 74' ' ' VAL . 4.2 pt -165.43 136.81 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.677 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.88 156.79 30.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.951 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.634 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.98 11.44 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.674 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 14.4 t90 71.62 -61.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 107.981 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.67 ' O ' HG23 ' A' ' 109' ' ' THR . 24.7 t0 -69.74 52.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.695 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.9 p -158.83 -52.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.024 HD22 ' HB3' ' A' ' 114' ' ' GLN . 45.7 mt 5.77 -106.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.889 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.645 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 147.03 -42.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 159.88 -63.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.925 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.517 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 21.2 m -50.16 -21.53 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.024 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.2 mp0 -89.1 -36.05 15.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.906 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -68.75 -39.83 80.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.62 -20.45 63.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.55 -11.14 32.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.038 -179.995 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.11 HD22 ' CE2' ' A' ' 53' ' ' PHE . 3.8 mt -88.15 1.17 54.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.965 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.757 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.8 p -132.71 127.94 20.66 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.0 Cg_endo -75.06 109.02 2.85 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.468 1.772 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.755 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.7 p -129.42 -134.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.755 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 33.98 91.01 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.606 179.959 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -7.81 19.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.496 ' OE1' ' HE3' ' A' ' 116' ' ' LYS . 2.2 tt0 -134.91 -44.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.7 mt-30 -58.06 -11.53 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.82 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.38 -36.53 26.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.886 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -87.01 -2.73 58.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.929 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -106.44 -15.52 14.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.248 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.65 -38.73 10.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.992 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.623 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.65 170.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 88' ' ' GLY . 15.5 m-20 -152.84 17.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.622 HG23 ' HD3' ' A' ' 56' ' ' PRO . 7.1 p -166.3 81.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.016 HG13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.48 120.62 44.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.525 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.8 OUTLIER -143.76 127.62 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.71 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 23.1 mtp180 -77.74 36.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.856 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.7 t -58.8 168.7 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.4 ptmt -126.43 118.91 25.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.847 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -90.55 104.12 16.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.799 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.4 m -106.16 -34.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.923 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.568 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.3 t -109.36 169.95 8.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 110.057 179.908 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.577 ' CG ' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -154.61 151.38 28.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.253 -179.989 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.711 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.5 ttpt -124.46 105.26 9.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 2.1 tt0 -72.6 92.41 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.936 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.43 HG13 ' HG2' ' A' ' 27' ' ' LYS . 32.7 m -106.03 126.13 61.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.481 ' CG ' ' HZ1' ' A' ' 41' ' ' LYS . 1.7 m-20 -69.66 161.06 30.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.429 ' O ' HD12 ' A' ' 40' ' ' ILE . 6.9 t -145.28 17.68 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.92 177.48 49.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.589 1.18 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.52 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.7 m120 -84.25 162.57 20.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.3 t0 -93.97 -162.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.54 0.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -108.16 -1.16 20.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.7 -8.76 76.49 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.52 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.5 p-10 -78.83 153.22 77.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.06 129.57 12.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 31' ' ' SER . 43.3 mt -63.8 -80.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.66 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 10.7 tppt? 70.62 124.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.489 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.38 64.41 1.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.951 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -35.13 144.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.749 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 8.0 mm100 -89.34 -179.95 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 1.05 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.6 OUTLIER -136.49 69.43 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.568 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.1 tt0 -64.74 68.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.917 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 1.013 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.4 pt -64.82 -171.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -124.51 1.91 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.383 179.953 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.501 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 53.17 113.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.536 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -121.91 -33.34 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.511 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -151.98 166.0 32.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.935 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.424 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.82 72.07 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.986 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.71 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 2.5 m-85 -43.79 -72.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -131.65 160.82 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 130.65 -139.65 11.12 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.14 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.728 ' HG3' HD11 ' A' ' 60' ' ' ILE . 18.5 Cg_endo -74.96 -165.17 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.454 1.765 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -108.25 -34.53 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.65 -85.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.9 t70 160.22 163.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.013 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -120.21 72.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.483 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -71.52 -4.56 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.555 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 5.6 m-85 -134.42 91.58 2.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 179.939 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.963 HG21 HD13 ' A' ' 98' ' ' ILE . 0.5 OUTLIER -97.81 169.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.749 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 7.8 m-85 -123.64 154.44 39.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 65' ' ' THR . . . . . 1.05 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.7 t -168.55 -161.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.661 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -107.84 152.74 41.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.951 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.04 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.454 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.3 OUTLIER 63.26 -162.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 179.987 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.714 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 30.4 t -82.4 33.88 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 86.58 90.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.351 -179.943 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.76 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -101.54 -28.71 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.76 ' SG ' HG23 ' A' ' 71' ' ' VAL . 10.8 m -138.29 16.49 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.592 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -153.76 -151.88 5.89 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.932 HG23 HD12 ' A' ' 104' ' ' ILE . 82.9 t -118.62 -0.76 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 74' ' ' VAL . 84.2 p 31.67 87.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 179.949 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.107 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -106.32 130.99 54.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.567 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -119.41 -8.1 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.383 179.938 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.968 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.6 t 74.02 -15.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -77.39 -9.97 86.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.481 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -130.33 -33.4 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.527 ' HZ1' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -97.01 -101.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.968 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.63 -71.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.516 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -153.98 159.04 41.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 1.107 ' CE2' HD13 ' A' ' 76' ' ' LEU . 4.4 p90 -144.35 151.51 39.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.692 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.73 3.01 30.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.21 -179.907 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.1 HD13 ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.64 105.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.957 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.02 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.4 112.39 13.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.591 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.07 179.2 19.2 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.414 1.071 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.727 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 13.4 tttt -57.21 -28.28 62.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 0.821 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 86.65 173.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.573 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 4.5 tt0 -122.14 -39.26 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.227 -179.946 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.14 52.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.159 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.612 ' C ' ' H ' ' A' ' 95' ' ' LYS . 1.5 t0 56.34 157.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.523 ' H ' HD13 ' A' ' 60' ' ' ILE . . . 66.83 -14.7 0.37 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.565 1.166 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.64 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.14 139.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.609 0.829 . . . . 0.0 109.246 -179.924 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.946 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -140.29 -172.27 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.939 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.45 120.64 32.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.937 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.972 HD12 HG13 ' A' ' 86' ' ' ILE . 4.9 pt -131.8 132.61 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -132.73 163.9 27.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.757 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -55.98 -43.85 77.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.433 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -64.47 -33.23 75.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 108.295 -179.946 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.456 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 2.8 t70 -73.97 168.3 19.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.02 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -72.18 116.03 12.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.932 HD12 HG23 ' A' ' 74' ' ' VAL . 5.6 pt -162.96 132.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.611 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.69 158.79 32.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.647 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 12.14 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.794 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.476 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 19.4 t90 70.57 -62.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.058 -179.928 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.562 ' O ' HG23 ' A' ' 109' ' ' THR . 31.0 t0 -70.6 52.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -156.03 -55.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.975 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.839 HD22 ' HB3' ' A' ' 114' ' ' GLN . 43.8 mt 8.95 -106.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.31 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.937 179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.627 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 157.11 -60.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 -179.962 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.762 HG23 ' HE2' ' A' ' 116' ' ' LYS . 23.0 m -54.52 -25.88 28.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.452 -179.965 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.839 ' HB3' HD22 ' A' ' 110' ' ' LEU . 2.1 mp0 -82.15 -34.97 28.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.938 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.634 ' HA ' HD23 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -70.13 -45.3 67.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.762 ' HE2' HG23 ' A' ' 113' ' ' THR . 0.0 OUTLIER -63.35 -9.87 13.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.517 ' HB3' ' HB2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -107.7 -26.35 10.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.671 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -79.59 -20.32 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.94 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.592 ' C ' ' OD1' ' A' ' 119' ' ' ASN . 4.7 p30 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.419 ' H3 ' ' H ' ' A' ' 2' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.419 ' H ' ' H3 ' ' A' ' 1' ' ' CYS . 1.3 p 52.75 26.32 4.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.445 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -49.98 177.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.349 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -119.57 109.54 38.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.414 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.98 131.37 14.24 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.751 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.2 p -155.05 -133.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.751 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.1 p80 37.75 85.58 0.15 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.619 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 2.53 6.51 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.421 1.748 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.582 HE22 ' HD3' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -139.72 -44.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.6 mt-30 -63.87 -5.24 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.795 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.03 -37.64 23.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.882 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.8 m-85 -87.01 -4.74 59.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 1.2 m -103.55 -15.12 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.338 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.28 -41.65 8.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.544 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.92 174.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' OD2' ' CZ ' ' A' ' 122' ' ' TYR . 0.5 OUTLIER -153.44 15.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.826 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 4.3 p -166.46 86.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.09 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.4 t -97.15 117.29 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.589 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -141.43 125.13 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.733 ' HD2' HD11 ' A' ' 50' ' ' ILE . 3.5 ttm180 -78.15 41.46 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.873 HG21 HD12 ' A' ' 47' ' ' ILE . 1.3 t -64.56 171.9 2.99 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HG2' HG22 ' A' ' 50' ' ' ILE . 16.3 ptmt -126.12 120.08 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.878 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -90.89 108.1 19.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.8 ' CG1' HG11 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -110.08 -36.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -115.74 165.02 13.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.041 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.1 mp0 -149.44 -176.42 5.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.4 ttpt -149.7 111.88 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.577 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 3.0 tt0 -74.09 92.08 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.518 HG13 ' HG2' ' A' ' 27' ' ' LYS . 34.0 m -107.68 114.8 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.54 ' N ' ' HZ3' ' A' ' 41' ' ' LYS . 1.6 m-20 -56.76 160.13 3.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.619 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -144.05 16.77 1.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 78.12 177.64 48.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.052 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.499 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m120 -85.0 162.56 19.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.37 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.2 t0 -93.69 -161.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.776 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.63 0.64 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.61 -0.61 20.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.58 -8.36 77.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.499 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.33 152.69 78.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.99 130.27 13.13 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.458 1.767 . . . . 0.0 111.039 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.619 HG21 ' OG ' ' A' ' 31' ' ' SER . 64.3 mt -66.43 -79.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.577 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.1 tppt? 69.52 126.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.515 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -131.41 67.52 1.51 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.993 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -39.14 140.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.774 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 5.5 mm100 -82.24 -179.76 7.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.363 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.925 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.44 69.12 1.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.945 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.51 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.9 tt0 -64.43 67.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.404 1.065 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.93 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.6 pt -64.61 -174.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 8.5 ttpt -120.47 -5.2 9.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER 56.7 113.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.733 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -123.23 -30.47 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -149.46 160.85 43.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.402 ' HA ' HG22 ' A' ' 19' ' ' ILE . 10.7 ptt? -145.8 70.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 20' ' ' ARG . 37.9 m-85 -44.73 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.651 ' HB3' HG23 ' A' ' 18' ' ' VAL . 9.7 tptt -124.68 158.96 31.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.477 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 129.04 -143.36 14.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.429 1.081 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.546 ' HG3' HD11 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -74.98 -171.17 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -99.49 -33.7 10.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 110.244 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -72.84 -84.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.1 t70 153.61 165.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.378 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.93 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -117.7 74.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.49 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -66.94 -8.93 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.9 m-85 -131.35 91.96 3.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.061 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -96.09 168.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.774 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 7.4 m-85 -122.08 145.78 47.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.856 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.6 t -162.69 -168.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -99.06 154.66 37.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.993 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.02 -161.01 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.549 1.815 . . . . 0.0 111.061 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.3 -169.84 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 110.066 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.757 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 1.9 t -56.19 -36.72 68.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.943 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 151.88 103.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.401 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -105.67 -39.06 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.818 ' O ' HG22 ' A' ' 99' ' ' THR . 15.4 m -132.35 26.75 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.324 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.622 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -162.21 -158.19 9.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.91 HG23 HD12 ' A' ' 104' ' ' ILE . 84.4 t -116.08 -1.41 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER 32.39 84.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 110.041 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.126 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.91 133.37 49.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -121.09 1.8 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.005 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.1 t 71.36 -55.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.403 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -56.84 -10.61 4.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.443 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.44 -18.43 4.5 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.504 ' O ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -125.65 -94.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.005 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.17 -85.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.581 ' O ' ' O ' ' A' ' 106' ' ' PRO . 6.5 mp0 -145.75 156.42 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.145 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.8 p90 -141.63 151.86 43.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.764 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.42 3.39 28.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.145 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.94 105.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.09 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -132.33 112.45 12.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.514 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.43 172.58 26.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.27 -29.01 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.826 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 79.26 176.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.528 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.3 tp10 -137.02 9.91 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.95 -120.58 3.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.443 1.089 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.19 143.05 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.541 ' H ' HD13 ' A' ' 60' ' ' ILE . . . 77.45 -3.67 58.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.589 1.181 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.826 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -172.43 139.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.899 ' CG ' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -144.32 -171.95 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 111.052 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.84 128.48 50.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.061 HD13 HG21 ' A' ' 63' ' ' ILE . 4.6 pt -141.71 133.86 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.818 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -137.36 165.32 26.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.376 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.489 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -60.14 -45.8 91.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.479 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -64.62 -15.86 61.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 108.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.455 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 11.0 t0 -93.38 171.26 9.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.058 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -72.69 116.05 12.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.91 HD12 HG23 ' A' ' 74' ' ' VAL . 6.5 pt -165.21 132.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.663 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.77 157.26 32.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.6 Cg_endo -74.94 5.32 4.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.048 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.608 ' CZ3' ' CZ ' ' A' ' 20' ' ' ARG . 5.1 t90 77.6 -57.33 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.593 ' O ' HG23 ' A' ' 109' ' ' THR . 22.7 t70 -70.03 51.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.683 ' O ' ' C ' ' A' ' 110' ' ' LEU . 17.3 p -158.89 -56.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.006 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.9 mt 10.63 -107.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 146.55 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.64 -65.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.367 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 50.8 m -49.8 -27.27 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.006 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.8 mp0 -83.19 -31.09 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.601 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -74.36 -42.18 59.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.582 ' HD3' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.55 -21.75 65.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.656 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.37 -14.01 29.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.57 HD22 ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -75.66 -23.94 56.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -73.93 -37.74 64.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.595 ' CE1' ' O ' ' A' ' 117' ' ' SER . 0.2 OUTLIER -66.07 142.76 57.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.549 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -57.04 -70.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.611 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.3 OUTLIER -156.51 88.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.502 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 1.5 tt0 65.38 63.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.499 ' HB2' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -70.9 54.46 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 111.04 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 58.02 23.09 50.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.62 ' SG ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -62.85 76.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.052 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -96.07 164.32 12.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 108.318 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.475 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 74.9 p -83.48 116.71 65.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.507 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.02 81.96 2.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.576 1.83 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.767 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.7 p -102.53 -133.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.767 ' N ' HG13 ' A' ' 6' ' ' VAL . 2.0 p80 40.55 85.15 0.17 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.567 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.8 8.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.517 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.7 OUTLIER -137.13 -46.97 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -57.53 -10.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.74 -34.48 30.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.883 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -90.43 4.75 50.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.958 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.3 m -113.22 -12.45 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.321 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.57 -38.57 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.64 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.19 169.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.195 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -150.85 16.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.73 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 12.1 p -165.95 82.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.992 HG13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -95.69 120.04 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.683 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.45 126.01 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.676 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 6.4 mtp180 -77.84 42.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.917 HG21 HD12 ' A' ' 47' ' ' ILE . 2.3 t -63.84 175.02 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.374 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.532 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.7 ptmt -128.1 120.16 26.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.852 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.79 104.03 15.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.898 HG12 HG11 ' A' ' 78' ' ' VAL . 3.5 m -107.64 -36.6 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -112.15 162.89 14.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 110.067 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.88 -174.89 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.642 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.8 ttpt -153.07 115.04 4.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.484 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 6.4 tt0 -75.92 91.1 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.544 HG13 ' HG2' ' A' ' 27' ' ' LYS . 23.3 m -102.46 105.85 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.449 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -52.9 151.32 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.603 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.5 t -137.33 22.18 2.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 109.955 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.96 -179.35 31.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.519 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.8 m-20 -84.26 164.39 19.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.74 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.21 -161.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.235 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.768 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.99 0.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -108.27 -0.2 20.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.99 -7.92 78.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -79.2 153.96 77.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.11 129.25 12.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.603 HG21 ' OG ' ' A' ' 31' ' ' SER . 50.7 mt -66.14 -81.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.649 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 11.1 tppt? 71.17 124.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.354 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.501 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.81 65.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.959 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.29 145.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.778 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.2 mm100 -86.57 -178.73 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.98 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.93 67.59 1.42 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 9.8 tt0 -63.02 68.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.917 HD12 HG21 ' A' ' 21' ' ' THR . 2.8 pt -65.24 -176.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.509 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.1 ttpt -122.24 -0.67 9.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.509 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.41 124.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.589 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -132.7 -32.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.396 1.06 . . . . 0.0 109.273 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.569 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -149.92 168.25 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.542 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -147.03 70.25 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.04 ' CE2' HD22 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -39.54 -76.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 110.99 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -130.03 66.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.4 -156.33 9.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.505 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.99 -174.4 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.54 1.811 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.43 -35.76 19.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -82.75 -79.09 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.9 t70 154.82 171.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.629 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.7 mm -96.71 -72.2 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER 74.53 -7.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.252 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.2 m-85 -147.85 98.97 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.077 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -108.5 169.46 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.359 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.778 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.2 m-85 -123.48 148.47 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.89 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.8 t -165.34 -167.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.708 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -98.08 154.59 37.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.959 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.05 -164.0 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 111.065 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.25 -169.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.756 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 24.2 p -54.11 -41.52 68.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 155.35 109.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.62 HG23 ' SG ' ' A' ' 1' ' ' CYS . 0.7 OUTLIER -113.45 -42.11 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.815 ' HA ' HD22 ' A' ' 100' ' ' LEU . 17.8 m -122.26 12.31 10.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.739 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -154.84 -156.22 7.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.837 HG23 HD12 ' A' ' 104' ' ' ILE . 89.0 t -114.74 -3.96 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 35.86 85.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.09 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.71 131.4 50.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 109.264 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.513 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -116.0 -2.86 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.096 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 72.69 -54.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.14 -13.02 0.9 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.551 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.3 -31.36 1.7 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.551 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -109.01 -96.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.257 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.096 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.7 -83.66 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.58 ' O ' ' O ' ' A' ' 106' ' ' PRO . 3.3 mp0 -147.22 152.01 37.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.164 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -134.62 154.48 51.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.713 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.72 3.16 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.164 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.88 102.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.992 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -127.59 110.56 12.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.525 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.56 177.44 22.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.565 1.166 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.624 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -47.48 -31.58 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.73 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 78.6 174.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.3 tp10 -134.4 7.17 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.6 -120.48 3.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.45 146.19 52.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 73.22 0.61 53.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.629 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.84 143.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.697 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.96 -169.15 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 128.24 42.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.077 HD13 HG21 ' A' ' 63' ' ' ILE . 2.3 pt -140.04 142.34 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.513 ' OG1' ' HB2' ' A' ' 102' ' ' ASP . 0.7 OUTLIER -139.44 166.22 25.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.815 HD22 ' HA ' ' A' ' 72' ' ' CYS . 1.1 pt? -61.01 -50.3 73.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.536 ' H ' HD23 ' A' ' 100' ' ' LEU . 6.1 t -61.8 -16.47 50.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.513 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.3 t0 -88.46 167.74 13.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.964 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.68 113.2 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 111.022 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.837 HD12 HG23 ' A' ' 74' ' ' VAL . 7.4 pt -161.85 131.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.692 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -151.96 157.29 34.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.596 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.89 10.29 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.576 1.829 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.676 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 13.4 t90 71.94 -58.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.038 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.663 ' O ' HG23 ' A' ' 109' ' ' THR . 37.9 t70 -69.7 52.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.685 ' O ' ' C ' ' A' ' 110' ' ' LEU . 6.2 p -159.36 -55.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.022 HD22 ' HB3' ' A' ' 114' ' ' GLN . 47.4 mt 8.2 -107.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 147.87 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.052 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.605 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 159.36 -67.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 110.475 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.542 ' N ' HG22 ' A' ' 112' ' ' THR . 5.2 m -47.66 -26.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.022 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.6 mp0 -83.23 -32.65 26.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.962 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -72.71 -41.34 65.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.434 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.92 -18.55 64.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.3 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.613 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.14 -12.49 30.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.919 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.04 HD22 ' CE2' ' A' ' 53' ' ' PHE . 27.2 mt -75.46 -27.69 59.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.402 ' OD1' ' HA ' ' A' ' 116' ' ' LYS . 4.0 p-10 -91.49 -17.3 25.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.528 ' CG ' ' HB3' ' A' ' 124' ' ' MET . 0.1 OUTLIER -86.74 41.74 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.568 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER 55.13 -98.77 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 110.318 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.596 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 31.6 p90 -148.83 5.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.596 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.2 OUTLIER 171.26 45.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.528 ' HB3' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.48 55.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 61.13 19.13 56.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.952 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.434 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -57.44 -176.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.9 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 59.49 10.77 2.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.63 ' O ' HD11 ' A' ' 100' ' ' LEU . 7.7 t -59.23 171.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 108.327 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -104.06 112.21 65.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.049 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 125.86 9.64 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.465 1.771 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.723 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.4 p -151.05 -131.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.723 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 37.86 84.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.576 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' O ' HG22 ' A' ' 113' ' ' THR . 18.5 Cg_endo -74.91 0.87 8.33 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.565 HE22 ' HD3' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -137.46 -43.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.9 mt-30 -65.25 -4.96 5.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.789 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.31 -37.07 23.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.857 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.9 m-85 -87.97 2.19 52.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.477 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 2.7 m -111.55 -14.83 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 108.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.53 -39.82 8.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.565 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -55.07 172.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -150.23 14.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.851 HG21 ' SD ' ' A' ' 96' ' ' MET . 10.4 p -165.71 89.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.995 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -100.61 120.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.574 HD11 ' HE2' ' A' ' 96' ' ' MET . 1.0 OUTLIER -145.86 125.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.669 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.8 mtp180 -76.76 37.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.951 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.1 t -60.64 165.93 3.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.485 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 17.7 ptmt -120.8 120.32 35.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.84 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.34 103.53 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.705 ' CG1' HG11 ' A' ' 78' ' ' VAL . 3.5 m -107.31 -34.2 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.527 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -115.77 165.37 13.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -149.44 -174.01 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.338 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.688 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.9 ttpt -155.25 116.89 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 9.7 tt0 -77.56 92.37 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.534 HG13 ' HG2' ' A' ' 27' ' ' LYS . 22.5 m -103.89 119.31 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.87 158.55 15.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.636 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -145.3 19.25 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.957 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 74.7 177.72 39.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.1 m120 -84.73 163.07 19.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.246 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.3 t0 -94.29 -161.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.83 0.68 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -108.58 0.02 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.47 -8.51 74.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -78.54 153.35 78.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 129.85 12.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.539 1.81 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.636 HG21 ' OG ' ' A' ' 31' ' ' SER . 42.9 mt -65.41 -78.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.664 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.3 tppt? 69.47 125.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.504 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -130.67 65.74 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.89 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -35.28 150.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.79 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.9 mm100 -92.49 178.96 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.902 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.06 69.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 13.5 tt0 -63.48 67.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.951 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -65.94 -173.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.615 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.7 ttmt -122.81 9.57 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.615 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.0 mm100 37.4 103.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.485 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -112.75 -32.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.543 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -145.23 163.6 33.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 52' ' ' MET . 2.1 ptp -144.17 69.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.023 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -36.34 -79.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.952 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.643 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -127.89 73.72 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.01 -162.77 11.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.696 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.02 -175.44 2.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.87 -33.06 14.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.638 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -72.12 -78.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.638 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.2 t70 146.13 165.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.653 HG21 ' CG ' ' A' ' 96' ' ' MET . 0.8 OUTLIER -109.67 -79.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER 76.9 -10.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 1.5 m-85 -141.37 94.04 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.093 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.961 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -99.94 168.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.79 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.2 m-85 -120.7 149.25 42.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.834 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.3 t -163.73 -164.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.399 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.707 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.81 152.61 38.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.89 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.96 -160.05 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 61.78 -161.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.716 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 44.5 t -81.53 30.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 87.63 97.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.596 1.185 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.618 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -107.26 -36.0 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.707 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 8.4 m -124.62 8.8 8.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.617 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -149.55 -153.79 6.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.557 1.16 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.898 HG23 HD12 ' A' ' 104' ' ' ILE . 81.9 t -113.49 -0.6 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.676 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER 30.71 83.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.932 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.143 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.17 141.7 35.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -125.41 0.49 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.705 HG11 ' CG1' ' A' ' 24' ' ' VAL . 3.1 t 68.57 -56.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -49.36 -14.59 0.58 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.452 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -116.07 -24.23 3.96 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.08 -91.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.92 -59.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.4 OUTLIER -172.71 168.02 5.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.241 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.143 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.2 p90 -152.08 153.84 34.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.77 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.54 1.48 41.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.125 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.23 99.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.054 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.23 106.39 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.605 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -139.67 165.7 25.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.608 1.193 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.3 tttm -39.2 -31.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 83.86 179.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.572 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -133.26 -41.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 174.29 -141.44 5.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.577 1.173 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -106.96 129.23 54.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 0.764 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 84.99 -2.36 88.35 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.539 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -170.26 139.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.616 0.833 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.851 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -136.75 -157.66 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -143.05 125.62 15.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.973 HD12 HG13 ' A' ' 86' ' ' ILE . 2.0 pt -139.35 145.49 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.216 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.61 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.7 OUTLIER -141.32 164.42 30.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.63 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -59.89 -41.68 92.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.52 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -66.77 -31.29 71.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 108.3 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.492 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.3 t0 -74.68 167.89 20.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.054 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.1 117.25 12.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.898 HD12 HG23 ' A' ' 74' ' ' VAL . 6.1 pt -164.4 134.36 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.703 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.47 158.16 32.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.6 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.03 10.41 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.669 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 15.9 t90 72.26 -60.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 107.986 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.672 ' O ' HG23 ' A' ' 109' ' ' THR . 16.1 t0 -69.28 53.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.674 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.4 p -159.05 -56.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.977 HD22 ' HB3' ' A' ' 114' ' ' GLN . 55.3 mt 11.13 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.177 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 146.14 -40.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.38 -64.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.453 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 23.1 m -49.84 -27.07 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.977 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.8 mp0 -83.42 -33.66 25.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.618 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -72.67 -41.44 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.565 ' HD3' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.43 -20.28 64.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.643 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.37 -13.39 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.023 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 45.4 mt -71.05 -30.03 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -93.27 3.28 55.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.682 ' CD2' ' CB ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -83.43 8.04 15.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.574 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.82 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.825 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 5.0 p90 -166.08 95.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.477 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 53.36 56.32 7.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.682 ' CB ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.2 54.08 0.29 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 57.19 26.6 56.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.468 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 0.7 OUTLIER -57.5 -169.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 71' ' ' VAL . 17.4 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.66 33.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.814 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -49.14 168.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.207 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -120.62 124.07 27.76 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.914 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -75.04 118.27 5.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.525 1.803 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.714 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.2 p -139.49 -132.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.714 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 35.89 88.45 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' HG22 ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.02 -5.33 16.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.543 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -134.91 -42.61 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.348 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 5.1 mt-30 -63.49 -5.81 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.784 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.16 -38.07 22.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.863 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.8 m-85 -86.42 -2.67 58.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 0.8 OUTLIER -104.64 -17.31 14.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.297 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.6 -37.94 10.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.565 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -57.23 174.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 88' ' ' GLY . 5.2 m-20 -157.1 16.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.871 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 6.3 p -165.69 80.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.363 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.948 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.2 118.75 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.598 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -144.21 123.69 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.625 ' NH1' ' CZ2' ' A' ' 107' ' ' TRP . 6.4 mtm180 -75.67 40.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.8 HG21 HD12 ' A' ' 47' ' ' ILE . 2.0 t -62.3 175.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.568 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.8 ptmt -129.54 120.04 24.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.601 1.188 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.781 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.28 98.6 11.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.403 1.064 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.769 HG12 HG11 ' A' ' 78' ' ' VAL . 3.0 m -99.24 -40.46 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.488 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.0 t -112.03 167.36 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.5 mp0 -148.38 -176.84 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -150.25 114.05 5.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.498 ' HG2' ' HZ2' ' A' ' 41' ' ' LYS . 7.1 tt0 -75.56 93.2 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.539 HG13 ' HG2' ' A' ' 27' ' ' LYS . 21.8 m -103.67 124.78 58.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.14 158.56 30.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.599 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.0 t -146.2 19.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 75.48 178.65 43.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.53 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.4 m-20 -83.98 162.7 20.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.14 -161.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.795 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.4 mp -80.6 0.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.75 0.3 20.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.168 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.3 -8.18 75.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.53 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.9 p-10 -79.34 155.11 76.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.539 0.788 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 129.69 12.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 31' ' ' SER . 54.6 mt -64.23 -79.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.632 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 13.3 tppt? 70.8 123.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.503 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -128.86 64.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.974 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -34.69 148.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.785 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.0 mm100 -92.02 -178.99 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.957 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.93 69.12 1.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.488 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.6 tt0 -62.08 71.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.8 HD12 HG21 ' A' ' 21' ' ' THR . 1.6 pt -67.15 -169.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -130.29 2.84 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.514 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 52.18 112.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.559 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -122.14 -27.88 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -155.68 166.74 32.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.475 ' HA ' HG22 ' A' ' 19' ' ' ILE . 4.8 ptm -146.12 71.85 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.03 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -41.72 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.37 66.19 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.6 -156.82 10.28 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.602 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.95 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.049 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -92.62 -35.5 13.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -80.89 -80.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 6.1 t0 155.64 170.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.375 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.647 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -101.02 -69.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.177 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.574 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.3 mt-10 71.81 -6.8 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.609 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -150.03 100.34 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.988 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -106.1 166.27 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.785 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 20.1 m-85 -118.01 149.84 40.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.796 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.0 t -165.5 -166.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.14 151.05 39.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.974 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.93 -158.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.476 1.777 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 54.18 -170.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.0 p -70.35 53.56 0.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.574 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 58.58 101.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.242 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.547 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -107.31 -35.1 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.677 ' O ' HG22 ' A' ' 99' ' ' THR . 68.3 m -131.02 17.21 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.352 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.574 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -153.06 -155.61 7.21 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.436 1.085 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.97 HG23 HD12 ' A' ' 104' ' ' ILE . 64.8 t -113.87 0.02 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 74' ' ' VAL . 28.9 p 30.61 81.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.937 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.099 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.02 133.2 48.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.377 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.565 ' C ' ' H ' ' A' ' 79' ' ' GLY . 0.1 OUTLIER -117.21 -10.42 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.034 HG22 ' O ' ' A' ' 82' ' ' LYS . 2.0 t 73.34 -15.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.565 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -76.95 -5.64 84.86 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.529 1.143 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.497 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -133.33 -31.99 0.4 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.557 ' HZ1' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -98.77 -100.87 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.781 . . . . 0.0 109.37 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.034 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 170.04 -75.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.579 ' O ' ' O ' ' A' ' 106' ' ' PRO . 16.4 mp0 -153.07 159.7 42.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.163 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -139.99 154.12 47.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.748 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.54 3.83 34.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.163 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.72 103.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.03 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.34 112.42 13.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.43 -177.83 20.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.603 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 5.6 mttt -52.58 -28.49 21.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.871 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 77.33 174.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.524 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.3 tp10 -134.3 6.73 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.85 -119.73 3.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -131.77 144.49 50.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.6 -2.92 61.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.647 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.69 147.29 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.723 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -149.86 -169.5 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.5 131.55 52.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.528 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.988 HD13 HG21 ' A' ' 63' ' ' ILE . 12.6 pt -144.49 137.38 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -138.45 161.22 37.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.431 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.814 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -56.15 -45.41 79.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -63.28 -32.15 73.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.475 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.6 t0 -75.14 169.23 18.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.271 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.03 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -71.9 117.27 13.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.97 HD12 HG23 ' A' ' 74' ' ' VAL . 4.9 pt -165.18 133.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.631 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.02 157.73 31.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.579 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.2 Cg_endo -75.02 8.61 2.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.625 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 13.5 t90 73.61 -58.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 107.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.639 ' O ' HG23 ' A' ' 109' ' ' THR . 12.1 t0 -69.82 51.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.3 p -158.82 -56.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.935 HD22 ' HB3' ' A' ' 114' ' ' GLN . 35.6 mt 9.18 -108.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.3 m 148.12 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.06 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.27 -66.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.515 ' N ' HG22 ' A' ' 112' ' ' THR . 3.5 m -48.91 -25.89 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.935 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.8 mp0 -84.14 -33.02 24.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -73.35 -41.5 63.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.543 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -61.85 -19.36 62.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.721 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.31 -5.16 50.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.997 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.03 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 55.4 mt -81.38 -27.66 34.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -98.82 -10.34 23.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.579 ' CE1' ' OG ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -91.29 32.14 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.625 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 120' ' ' HIS . 2.5 mmt-85 67.43 -105.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.541 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 39.3 p90 -157.19 12.73 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.0 OUTLIER 174.71 52.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.578 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.94 53.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 49.66 21.96 3.74 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.57 -168.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.255 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 168.11 60.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.689 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -98.84 162.05 13.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 108.273 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.467 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 79.1 p -88.9 130.7 43.81 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 110.019 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.444 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.7 Cg_endo -74.87 85.77 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.617 1.851 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.734 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.9 p -104.26 -133.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.734 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.52 86.64 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.591 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.04 -20.9 16.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.569 1.826 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.564 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -120.42 -42.17 2.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.4 mt-30 -63.13 -5.32 3.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.758 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.74 -38.89 20.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.92 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -87.24 3.35 46.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.938 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 1.3 m -112.17 -15.56 13.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 108.249 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.56 -39.74 8.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.554 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.6 173.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -151.34 14.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.799 HG21 ' SD ' ' A' ' 96' ' ' MET . 11.0 p -165.75 89.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.015 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -100.57 116.11 43.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.561 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -141.63 125.8 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.595 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -77.73 42.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.916 HG21 HD12 ' A' ' 47' ' ' ILE . 2.5 t -64.81 175.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HG2' HG22 ' A' ' 50' ' ' ILE . 15.8 ptmt -128.93 120.62 26.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.816 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.26 108.25 19.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.815 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.4 m -111.95 -35.98 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -115.39 164.92 13.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.98 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.7 mp0 -149.8 179.6 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.0 ttpt -144.74 111.78 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.663 ' HG3' HD11 ' A' ' 43' ' ' ILE . 4.0 tt0 -74.04 92.35 2.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.51 HG13 ' HG2' ' A' ' 27' ' ' LYS . 30.0 m -108.78 112.3 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.518 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.1 m-20 -56.59 160.77 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.56 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.5 t -143.74 17.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.973 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.405 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 77.98 176.68 46.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.533 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.2 m120 -84.26 162.41 20.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.744 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -93.92 -161.64 0.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.761 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -80.56 0.4 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -107.91 -1.22 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.7 -8.39 77.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.533 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -78.19 151.71 78.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.556 0.797 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.97 129.06 12.01 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.56 HG21 ' OG ' ' A' ' 31' ' ' SER . 73.0 mt -65.57 -80.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.538 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 17.6 tppt? 68.87 126.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.503 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.49 68.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.957 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.51 141.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.636 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.2 mm100 -83.23 179.77 7.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.354 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.927 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.28 69.63 1.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.0 tt0 -63.62 68.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.916 HD12 HG21 ' A' ' 21' ' ' THR . 3.0 pt -65.26 -173.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.546 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.2 ttpt -125.22 1.52 7.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.546 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 54.94 125.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.622 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -134.32 -34.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.7 tttt -146.67 162.44 38.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 ptm -144.26 65.13 1.3 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.626 ' CE1' HD22 ' A' ' 118' ' ' LEU . 43.6 m-85 -41.82 -80.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -121.16 69.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.8 -160.24 10.24 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.617 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.95 -174.28 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.408 1.741 . . . . 0.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.77 -33.49 14.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -78.44 -80.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.2 t70 151.94 169.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.586 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.3 mm -102.38 -71.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.544 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.3 -8.24 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.608 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -149.36 97.49 2.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.002 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -103.56 170.11 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -120.87 146.48 46.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 111.032 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.789 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.2 t -161.71 -160.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.351 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.75 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -109.04 153.38 42.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.221 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.957 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.01 -158.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.445 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 59.71 -161.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.995 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.724 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 26.1 t -81.13 30.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.949 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 88.38 94.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.728 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -107.16 -28.13 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.819 ' O ' HG22 ' A' ' 99' ' ' THR . 4.5 m -133.99 12.03 3.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.596 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.63 -153.11 6.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.888 HG23 HD12 ' A' ' 104' ' ' ILE . 78.0 t -114.94 0.33 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 0.776 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 74' ' ' VAL . 32.7 p 33.36 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.122 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.45 135.68 45.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.501 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -124.83 0.46 8.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.055 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.5 t 71.83 -54.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.44 -10.58 2.11 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.438 ' C ' ' HD3' ' A' ' 81' ' ' LYS . . . -119.75 -25.83 2.49 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.493 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -117.23 -94.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.055 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.88 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.8 mp0 -146.78 160.6 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.143 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.1 p90 -146.69 153.43 40.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.802 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.64 2.72 32.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.143 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.94 100.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.045 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.76 108.29 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.513 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.36 172.27 23.92 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.63 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -45.1 -28.73 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 0.813 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 79.29 178.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.665 ' OE2' ' CD2' ' A' ' 97' ' ' HIS . 4.6 tp10 -132.51 -37.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.96 -135.69 3.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' N ' ' HE2' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -111.43 134.26 53.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.13 -5.89 69.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -168.84 144.11 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.746 . . . . 0.0 109.283 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.799 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -141.21 -158.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.665 ' CD2' ' OE2' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -138.99 124.84 19.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.546 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.002 HD13 HG21 ' A' ' 63' ' ' ILE . 1.9 pt -138.82 151.36 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.819 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -148.71 164.3 34.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 110.417 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.689 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER -59.65 -50.73 72.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.637 ' H ' HD23 ' A' ' 100' ' ' LEU . 5.7 t -61.15 -19.25 61.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 108.263 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.42 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 10.0 t0 -86.79 167.86 14.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.045 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.77 115.79 10.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.888 HD12 HG23 ' A' ' 74' ' ' VAL . 6.4 pt -165.09 132.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.654 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.72 156.56 32.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.56 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.13 5.36 4.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.563 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 3.1 t90 78.06 -57.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 107.976 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.599 ' O ' HG23 ' A' ' 109' ' ' THR . 25.9 t0 -69.9 50.65 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 18.1 p -159.08 -57.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.032 HD22 ' HB3' ' A' ' 114' ' ' GLN . 45.0 mt 11.84 -107.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.83 -41.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.589 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.63 -65.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 35.2 m -49.78 -26.41 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.032 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.7 mp0 -83.43 -33.08 25.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.633 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -73.25 -41.1 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.372 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.564 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.83 -20.28 65.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.64 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.89 -12.83 26.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.626 HD22 ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -75.1 -28.41 60.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.389 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 120' ' ' HIS . 0.7 OUTLIER -75.48 -34.81 60.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.625 ' CD2' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -65.76 131.47 46.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.569 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -79.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.79 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 8.6 p90 -157.31 95.24 1.46 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.625 ' H ' ' HE2' ' A' ' 120' ' ' HIS . 0.1 OUTLIER 64.01 64.95 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.403 ' HB2' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -71.95 54.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.03 23.36 15.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -168.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.8 OUTLIER 157.01 42.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.094 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.65 176.35 1.17 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.461 1.1 . . . . 0.0 108.37 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.0 p -123.52 113.06 29.18 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 130.73 13.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.73 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.4 p -154.7 -133.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.73 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.4 p80 35.05 88.59 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.645 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 2.34 6.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.787 . . . . 0.0 110.996 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' HB2' HG22 ' A' ' 113' ' ' THR . 9.9 tp-100 -137.8 -42.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.515 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.61 -7.14 9.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.78 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.2 -32.54 26.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.87 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.4 m-85 -92.0 -3.1 56.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.465 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 5.6 m -105.01 -9.77 17.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 108.282 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -103.75 -41.33 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.579 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.51 173.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER -154.22 16.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.672 HG23 ' HD3' ' A' ' 56' ' ' PRO . 13.7 p -165.6 82.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.982 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -96.01 119.07 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.652 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -144.56 123.78 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.639 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.3 mtp180 -75.07 39.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.863 ' OG1' HD12 ' A' ' 47' ' ' ILE . 1.8 t -60.59 173.51 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.634 ' HG2' HG22 ' A' ' 50' ' ' ILE . 16.2 ptmt -129.18 118.8 22.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.805 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -90.43 103.43 16.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.716 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.2 m -104.72 -35.58 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.174 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.472 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.9 t -117.24 169.43 9.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.044 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.2 mp0 -150.65 -177.43 5.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.9 ttpt -148.79 110.59 4.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' CG ' ' HE3' ' A' ' 41' ' ' LYS . 8.1 tt0 -74.19 90.06 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.554 HG23 ' HG3' ' A' ' 42' ' ' ARG . 34.3 m -103.23 125.29 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.38 160.06 28.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.742 ' O ' HD12 ' A' ' 40' ' ' ILE . 9.4 t -146.22 19.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.59 177.07 46.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.55 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 6.1 m-20 -83.6 163.35 20.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t70 -94.48 -161.6 0.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.82 1.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.54 -1.09 19.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.62 -8.21 78.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.55 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.1 p-10 -79.31 154.86 76.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.09 131.16 13.87 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.456 1.766 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.742 HD12 ' O ' ' A' ' 31' ' ' SER . 96.5 mt -64.74 -81.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.23 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.641 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.7 tppt? 72.96 124.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.554 ' HG3' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -129.84 66.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.006 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -37.61 143.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.637 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.5 mm100 -86.64 -178.66 6.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.986 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.4 OUTLIER -137.03 66.02 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.8 tt0 -61.29 74.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.863 HD12 ' OG1' ' A' ' 21' ' ' THR . 2.3 pt -69.12 -168.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.579 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -129.98 7.1 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.579 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 49.07 114.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.639 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -122.76 -27.54 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.549 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -156.36 169.13 25.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.478 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -146.7 68.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.119 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -40.19 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.568 1.167 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.562 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -129.79 65.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 109.32 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.11 -157.89 10.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.1 -172.89 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.79 -34.92 15.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.43 -79.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.3 t70 153.5 170.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.604 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -101.83 -72.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.56 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.3 mt-10 73.73 -8.0 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.603 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -149.23 99.58 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.944 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.058 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -103.24 170.13 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.758 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -121.8 151.88 40.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.986 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.0 t -167.59 -159.35 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.663 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -110.42 152.66 43.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.006 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.01 -160.33 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.33 -170.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t -71.1 55.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 75' ' ' SER . . . 58.54 102.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.561 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -111.59 -32.23 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.387 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.663 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 8.7 m -128.38 7.75 5.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.562 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -147.21 -151.75 5.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.923 HG23 HD12 ' A' ' 104' ' ' ILE . 94.1 t -117.59 6.6 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.665 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 28.05 86.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.931 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.96 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -106.56 132.8 52.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.462 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -120.87 2.9 10.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.716 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.7 t 68.33 -57.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -56.25 -10.45 3.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.427 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -118.66 -18.33 4.85 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -121.77 -88.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 0.8 . . . . 0.0 109.345 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 160.76 -68.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.542 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -165.75 162.12 18.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.358 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.154 ' CG ' HD13 ' A' ' 86' ' ' ILE . 3.1 p90 -146.7 151.91 37.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.759 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.39 3.89 29.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.154 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.96 103.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.056 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.44 111.68 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.502 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.98 -175.53 18.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.7 mtpt -53.29 -36.41 61.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 0.789 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.47 173.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.4 tp10 -132.21 4.18 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.74 -120.53 3.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.7 140.83 49.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 81.16 -3.8 74.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.604 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.93 143.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.74 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.13 -168.7 3.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.758 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -128.83 128.29 43.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.583 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.058 HD13 HG21 ' A' ' 63' ' ' ILE . 4.9 pt -140.47 145.18 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.581 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.6 OUTLIER -141.74 163.7 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.422 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.595 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -58.51 -46.15 87.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.206 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.45 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -62.68 -31.86 72.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 108.324 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.439 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.5 t0 -73.95 167.85 20.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.056 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -71.03 118.08 13.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.923 HD12 HG23 ' A' ' 74' ' ' VAL . 6.5 pt -165.38 134.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.695 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.74 158.47 32.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.601 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.0 10.81 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.639 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 18.3 t90 71.07 -59.87 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 107.961 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.626 ' O ' HG23 ' A' ' 109' ' ' THR . 33.4 t70 -69.72 52.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.681 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.7 p -157.73 -55.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.019 HD22 ' HB3' ' A' ' 114' ' ' GLN . 50.7 mt 9.73 -107.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.97 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.397 1.061 . . . . 0.0 110.015 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.53 -62.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.511 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 27.4 m -49.65 -24.03 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.019 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.4 mp0 -87.95 -37.19 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.662 ' HG3' HD13 ' A' ' 110' ' ' LEU . 2.0 mtmt -68.12 -37.54 81.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.511 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -63.55 -19.89 65.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.663 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -90.04 -22.84 21.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.119 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 72.5 mt -61.54 -22.7 65.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -102.03 -2.4 29.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.625 ' ND1' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -90.22 27.89 1.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.604 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 1.5 mpt_? 43.39 -96.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.768 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 8.9 p90 -140.91 97.45 3.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.539 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 2.2 tt0 50.87 69.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.41 ' HG3' ' HA ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -65.45 57.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 52.08 22.03 8.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -170.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.91 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 56.1 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 58.53 11.54 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.23 166.52 9.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 108.355 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.9 p -103.43 107.72 56.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -75.01 123.96 8.26 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.754 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.6 p -149.56 -132.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.754 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.51 85.06 0.17 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.623 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.97 1.11 8.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.574 HE22 ' HD3' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -138.35 -43.1 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.3 mt-30 -64.93 -5.27 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.827 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.79 -37.75 24.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.853 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.9 m-85 -87.4 1.81 52.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 5.1 m -111.2 -15.22 13.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 108.335 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.1 -39.06 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.58 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -56.25 170.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -148.39 14.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.784 HG23 ' HD3' ' A' ' 56' ' ' PRO . 11.1 p -165.74 89.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.023 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -101.39 118.09 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.652 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.7 OUTLIER -143.72 125.25 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.675 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 3.7 mtp180 -77.27 39.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.96 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.82 170.68 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.472 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 16.2 ptmt -124.41 121.69 35.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.86 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.66 104.25 16.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.68 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.5 m -107.16 -36.48 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.518 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -114.41 166.85 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.078 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.8 mp0 -149.97 -179.78 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -148.36 113.98 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.44 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 7.3 tt0 -75.17 90.78 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.56 HG13 ' HG2' ' A' ' 27' ' ' LYS . 10.0 m -97.2 94.57 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.502 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -45.11 146.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.652 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -133.22 15.5 4.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.19 -174.43 37.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.2 m120 -84.27 165.44 18.32 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -95.46 -161.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.78 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.56 1.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.598 1.186 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.78 -0.63 19.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.87 -8.77 76.79 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.41 153.88 79.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.5 Cg_endo -74.92 129.65 12.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.652 HG21 ' OG ' ' A' ' 31' ' ' SER . 52.8 mt -70.91 -84.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.03 124.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.49 ' HG3' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -129.74 68.05 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.952 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -41.46 145.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.644 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.3 mm100 -88.37 -177.15 5.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.932 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -137.43 68.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.552 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 13.6 tt0 -62.73 68.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.96 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.2 pt -66.44 -176.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.8 ttpt -118.51 -4.59 10.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.51 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.8 mm100 54.99 114.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.472 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -122.18 -35.36 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.541 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -145.49 160.82 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.492 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -140.21 68.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.974 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -35.94 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.618 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -126.93 70.08 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.17 -163.09 12.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.784 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.08 -170.59 0.81 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.29 -33.23 12.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.655 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.4 -81.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.655 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 151.11 164.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.641 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -106.87 -78.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.539 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.01 -7.04 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.584 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -146.11 96.28 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.033 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -100.67 172.49 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.658 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.17 153.43 41.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.861 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.5 t -170.81 -164.55 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.616 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -105.64 153.56 39.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.952 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.01 -160.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.35 -160.18 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.975 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.659 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 66.1 p -81.63 32.89 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 82.29 101.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.545 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -109.84 -40.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.91 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 16.7 m -121.46 13.34 10.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.542 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.33 -152.65 6.01 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.073 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.957 HG23 HD12 ' A' ' 104' ' ' ILE . 47.9 t -115.62 3.84 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.552 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 8.3 p 27.74 82.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.936 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.133 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.48 141.33 36.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.491 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -125.99 0.53 7.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.68 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.8 t 69.62 -56.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -55.1 -11.83 3.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.45 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -117.69 -16.28 6.0 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.44 -89.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 160.99 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.502 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -169.23 168.43 9.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.161 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -152.14 152.66 32.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.789 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.25 2.71 34.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.161 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.91 100.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.031 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.91 101.92 6.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.504 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -156.93 162.81 31.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -36.31 96.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.686 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -60.58 176.26 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.528 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.7 tp10 -124.85 4.35 8.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.17 -115.61 1.68 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.83 139.68 40.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.487 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 82.03 -2.16 84.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.589 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.39 142.84 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.766 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.5 -169.58 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.447 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -126.48 133.49 51.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.575 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.033 HD13 HG21 ' A' ' 63' ' ' ILE . 12.9 pt -144.45 142.08 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.645 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.8 OUTLIER -140.33 161.0 38.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.777 ' CD2' ' H2 ' ' A' ' 1' ' ' CYS . 0.8 OUTLIER -57.08 -43.69 82.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.252 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -63.22 -33.6 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 108.344 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.431 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.5 t0 -73.81 167.57 21.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.031 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.64 119.09 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.957 HD12 HG23 ' A' ' 74' ' ' VAL . 4.2 pt -165.8 135.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.715 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.84 158.8 32.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.613 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.02 10.12 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.675 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.6 t90 71.91 -59.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.649 ' O ' HG23 ' A' ' 109' ' ' THR . 42.8 t0 -70.35 52.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.651 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.0 p -158.43 -59.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.926 HD22 ' HB3' ' A' ' 114' ' ' GLN . 54.1 mt 15.18 -107.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.24 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.95 -65.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.479 ' N ' HG22 ' A' ' 112' ' ' THR . 24.1 m -49.48 -27.48 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.926 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.7 mp0 -82.57 -32.86 28.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -73.16 -42.6 62.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.29 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.574 ' HD3' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -60.89 -20.84 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.661 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.63 -15.15 33.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.974 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 63.4 mt -71.76 -20.15 61.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 119' ' ' ASN . 0.1 OUTLIER -74.42 -56.36 4.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 117' ' ' SER . 1.4 p80 -46.45 134.53 9.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.549 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.464 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -49.91 -49.94 48.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.793 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 2.2 p90 179.62 98.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.449 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 61.77 67.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.506 ' CG ' ' HB2' ' A' ' 120' ' ' HIS . 0.1 OUTLIER -69.7 55.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.969 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 48.55 22.24 2.52 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -169.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 71' ' ' VAL . 37.8 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.62 25.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.439 1.087 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -83.69 160.29 21.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 108.31 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.453 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 9.6 p -88.49 113.85 57.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 103.25 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.738 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.2 p -126.34 -131.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.738 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.2 p80 41.31 82.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.568 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.73 6.32 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.562 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -139.09 -44.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 8.9 mt-30 -63.65 -6.24 5.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.816 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.15 -38.11 22.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.932 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -86.63 1.05 53.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 1.8 m -110.42 -13.96 14.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.275 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -98.0 -37.85 9.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.637 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -55.72 171.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.03 15.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.727 HG23 ' HD3' ' A' ' 56' ' ' PRO . 14.6 p -166.42 84.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.975 HG13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.75 120.94 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.696 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.0 OUTLIER -145.19 124.89 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.696 ' CZ ' ' CZ2' ' A' ' 107' ' ' TRP . 16.9 mtp180 -77.29 40.51 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.941 HG21 HD12 ' A' ' 47' ' ' ILE . 2.3 t -62.97 175.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.467 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.525 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.7 ptmt -129.02 120.66 26.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.833 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.5 103.15 15.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.639 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.9 m -105.08 -37.04 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.513 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -113.37 166.0 11.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.413 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 2.6 mp0 -150.85 -175.18 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.206 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.09 112.31 4.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.226 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.547 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.2 tt0 -75.97 90.08 2.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.594 HG23 ' HG3' ' A' ' 42' ' ' ARG . 16.8 m -97.5 79.67 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' OD1' ' OE1' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -44.61 142.39 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.7 t -127.94 30.19 5.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.51 -169.14 6.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.9 m120 -83.9 164.39 19.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.6 t70 -94.78 -161.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.769 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.99 1.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -109.0 -1.23 19.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.08 -8.72 77.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.8 p-10 -78.39 153.37 79.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.566 0.804 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.04 128.96 11.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.45 HG21 ' OG ' ' A' ' 31' ' ' SER . 23.4 mt -73.8 -95.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.485 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 25.6 ttmt 72.54 124.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.594 ' HG3' HG23 ' A' ' 29' ' ' VAL . 1.5 ptt85 -127.79 72.94 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.957 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -45.0 143.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.775 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.4 mm100 -86.55 -178.81 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 1.012 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -137.77 67.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.513 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.8 tt0 -63.12 70.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.941 HD12 HG21 ' A' ' 21' ' ' THR . 3.5 pt -67.87 -177.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.0 ttpt -120.44 -3.35 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.525 ' HG3' ' OD1' ' A' ' 59' ' ' ASP . 15.1 mm100 58.2 123.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.608 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -130.79 -37.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -149.85 154.58 38.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.503 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -132.66 72.84 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.909 ' CE2' HD22 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -37.81 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -135.81 76.3 1.6 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.32 -162.65 11.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.578 1.174 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.727 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.96 -175.77 2.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -90.04 -32.57 16.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.592 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.07 -79.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.649 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 4.2 t0 148.12 168.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.664 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -108.56 -76.98 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.537 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 2.1 mt-10 72.87 -9.12 1.15 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.524 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.2 m-85 -141.93 95.42 2.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.077 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -102.77 166.59 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.775 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.2 m-85 -120.36 157.66 28.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.189 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 1.012 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.6 t -172.88 -161.97 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.678 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -111.02 152.32 43.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.957 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.06 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 68.09 -159.11 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.708 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 46.2 t -81.78 28.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.952 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 85.7 96.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.628 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -104.32 -49.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.755 ' O ' HG22 ' A' ' 99' ' ' THR . 3.8 m -109.76 9.36 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.552 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.33 -152.88 5.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.842 HG23 ' CD1' ' A' ' 104' ' ' ILE . 70.6 t -117.55 2.26 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.647 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER 31.54 86.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.946 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -104.67 136.82 43.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.505 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -120.71 -5.39 9.7 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.639 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.9 t 69.64 -55.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -48.07 -13.93 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -117.87 -27.72 2.44 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -107.17 -94.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.533 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 165.7 -63.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.533 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -167.11 168.04 13.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.253 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.175 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -150.15 154.03 37.34 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.778 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.61 2.27 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.175 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.65 100.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.987 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.49 111.34 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.544 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.46 174.55 24.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.415 1.072 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.676 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.84 -34.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 0.0 109.383 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.687 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 82.19 173.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.531 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.7 OUTLIER -131.65 3.13 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.245 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.15 -120.47 3.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.96 143.22 50.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.494 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.77 -3.18 65.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.664 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.33 141.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.73 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.44 -168.46 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.92 128.25 43.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.077 HD13 HG21 ' A' ' 63' ' ' ILE . 3.1 pt -140.89 139.14 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.755 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -136.45 167.02 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.577 1.173 . . . . 0.0 110.349 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 101' ' ' CYS . 0.5 OUTLIER -62.38 -48.91 77.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.652 ' H ' HD23 ' A' ' 100' ' ' LEU . 6.5 t -63.44 -13.78 43.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 108.309 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.417 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.3 t0 -92.13 166.71 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.987 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -69.52 115.59 8.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.842 ' CD1' HG23 ' A' ' 74' ' ' VAL . 6.6 pt -165.28 129.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.69 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.53 159.19 36.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.05 10.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.696 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 14.1 t90 71.3 -61.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.664 ' O ' HG23 ' A' ' 109' ' ' THR . 57.2 t0 -69.83 52.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 108' ' ' ASP . 2.1 p -158.85 -59.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.904 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.3 mt 14.55 -106.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.05 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.0 -67.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.524 ' N ' HG22 ' A' ' 112' ' ' THR . 21.8 m -47.54 -25.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.904 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.5 mp0 -84.43 -34.04 23.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.345 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.827 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -71.83 -42.42 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.63 ' HZ3' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -62.02 -20.99 64.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.619 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -88.47 -15.25 35.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.931 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.909 HD22 ' CE2' ' A' ' 53' ' ' PHE . 54.3 mt -72.62 -28.34 62.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -85.85 -8.68 57.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.63 ' CD2' ' HZ3' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -83.04 8.84 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.601 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.473 ' CA ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 61.55 -85.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.562 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.4 OUTLIER -150.74 90.61 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.442 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 2.1 tt0 57.27 66.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.558 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.24 56.83 0.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 52.37 25.78 20.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.49 -171.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 3' ' ' CYS . 57.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 39.43 28.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.059 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 1' ' ' CYS . 1.4 m -75.77 164.34 26.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.34 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -97.89 110.1 54.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.944 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.02 3.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.712 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.8 p -140.11 -131.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.712 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.4 p80 39.43 95.0 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.24 15.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.793 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.571 ' OE1' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -124.76 -42.6 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 6.1 mt-30 -55.09 -10.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.818 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.46 -36.89 21.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.902 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -88.74 0.65 56.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 m -109.42 -15.13 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.25 -37.13 10.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.617 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -55.03 174.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -156.37 17.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 88' ' ' GLY . 14.1 p -166.0 78.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.969 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -93.73 118.11 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.632 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -144.73 124.63 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.662 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 10.9 ttp180 -76.71 41.13 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.904 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.1 t -60.81 171.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.528 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.5 ptmt -124.37 118.65 27.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.827 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.82 106.23 18.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.805 ' CG1' HG11 ' A' ' 78' ' ' VAL . 3.2 m -110.39 -37.09 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.507 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -112.48 163.47 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.986 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -148.36 -176.45 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.02 115.18 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 6.9 tt0 -75.09 92.57 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG13 ' HG2' ' A' ' 27' ' ' LYS . 6.7 m -99.51 93.83 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.492 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.5 m-20 -45.25 143.92 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.378 1.049 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.659 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -130.9 17.46 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.059 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.08 -174.08 30.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.437 1.086 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.7 m120 -84.72 165.89 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.0 t0 -95.5 -161.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -81.17 1.18 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -108.94 -1.56 18.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.6 -8.97 77.72 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.529 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -77.64 153.62 81.08 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.571 0.806 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.5 Cg_endo -74.96 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.659 HG21 ' OG ' ' A' ' 31' ' ' SER . 46.4 mt -71.91 -84.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.564 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.99 124.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.466 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -130.18 69.74 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.934 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -43.09 145.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.764 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.6 mm100 -87.21 -179.6 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.978 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.76 68.79 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.047 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.8 tt0 -63.35 68.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.181 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.904 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.5 pt -65.72 -175.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.519 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -123.53 0.16 8.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.519 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.54 128.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.561 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -134.59 -36.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' N ' HG12 ' A' ' 50' ' ' ILE . 3.0 tttt -144.36 167.32 22.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.361 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.555 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.92 65.05 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.823 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 18.9 m-85 -40.13 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -127.18 71.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.02 -158.72 9.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.568 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.01 -173.49 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -88.81 -34.69 16.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.227 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -81.94 -78.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.4 t70 152.39 171.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.591 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.4 mm -97.92 -73.12 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.568 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.86 -8.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.362 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.592 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -146.42 96.89 2.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.062 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.53 169.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.764 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 5.8 m-85 -122.35 155.48 35.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.929 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.7 t -172.68 -165.51 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.61 155.68 36.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.934 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.04 -165.54 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.52 -172.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.785 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -54.09 -33.84 58.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 149.06 109.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.643 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -115.91 -36.31 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.744 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 8.3 m -128.76 17.66 6.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.619 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -159.83 -153.48 6.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.931 HG23 HD12 ' A' ' 104' ' ' ILE . 64.8 t -117.19 -0.82 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.553 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 33.84 85.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.009 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.153 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -106.41 134.19 49.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.497 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -122.93 1.24 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.087 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.6 t 71.33 -58.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -54.68 -9.79 1.89 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.488 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.95 -20.99 3.95 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.52 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -124.05 -92.47 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 0.723 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.087 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.71 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.332 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.588 ' O ' ' O ' ' A' ' 106' ' ' PRO . 10.9 mp0 -148.21 149.46 31.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.153 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.9 p90 -130.88 153.08 49.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.793 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -83.97 3.53 33.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.137 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.19 104.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.036 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -130.01 110.22 11.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.707 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -147.52 170.2 28.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.684 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.0 tttm -39.6 -35.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 83.46 177.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.602 1.189 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.1 tp10 -134.96 7.31 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.44 -123.68 4.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.35 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 75.64 -0.47 60.95 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.107 . . . . 0.0 111.045 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.18 142.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.289 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.672 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.75 -170.0 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.982 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.69 130.13 48.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.062 HD13 HG21 ' A' ' 63' ' ' ILE . 6.3 pt -141.53 139.18 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.615 ' O ' HD11 ' A' ' 104' ' ' ILE . 2.0 p -138.33 163.82 30.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.439 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.514 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -62.5 -29.16 70.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -29.83 57.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 108.284 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.406 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.6 t0 -81.18 170.24 16.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.036 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.82 117.5 12.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.051 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.931 HD12 HG23 ' A' ' 74' ' ' VAL . 7.3 pt -164.42 132.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.502 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.51 157.36 32.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.588 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.4 Cg_endo -74.99 7.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.419 1.747 . . . . 0.0 111.049 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.793 ' HD1' HD12 ' A' ' 85' ' ' LEU . 2.5 t90 73.99 -57.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.03 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 109' ' ' THR . 65.9 t0 -69.34 50.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.683 ' O ' ' C ' ' A' ' 110' ' ' LEU . 13.3 p -158.67 -55.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.028 HD22 ' HB3' ' A' ' 114' ' ' GLN . 40.7 mt 8.49 -106.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 147.43 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.599 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.74 -63.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.482 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 20.6 m -51.03 -25.81 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.445 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.028 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.3 mp0 -84.17 -33.02 24.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.807 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -72.72 -42.45 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.571 ' CE ' ' OE1' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -64.09 -12.51 39.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.601 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.3 -19.81 17.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.823 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -71.05 -26.68 63.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 1.183 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -92.62 -23.96 18.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.529 ' CG ' ' HG3' ' A' ' 124' ' ' MET . 0.1 OUTLIER -84.23 47.75 1.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.64 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 15.3 mmt-85 55.83 -109.82 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.559 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 40.0 p90 -147.69 11.41 0.97 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.8 OUTLIER 169.3 62.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.529 ' HG3' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.73 55.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 48.88 22.42 2.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.45 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -59.74 -170.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 0.0 110.303 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.401 ' C ' ' N ' ' A' ' 3' ' ' CYS . 63.4 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 49.57 21.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -69.04 162.94 25.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.491 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 69.3 p -85.62 115.88 63.32 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.95 84.21 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.708 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.6 p -103.97 -132.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.708 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 42.0 93.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.595 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -27.86 9.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.57 ' OE1' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -120.11 -40.57 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 8.8 mt-30 -57.28 -8.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.814 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.75 -39.48 20.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.895 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -85.91 1.53 49.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 6.3 m -110.2 -15.08 14.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 108.241 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.95 -38.66 10.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.612 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.76 172.24 0.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -148.48 11.27 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.799 HG21 ' SD ' ' A' ' 96' ' ' MET . 4.9 p -166.91 92.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.952 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -100.88 122.86 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.555 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -145.24 126.28 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.697 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.5 mtp180 -77.27 37.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.231 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.95 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.4 t -60.87 163.67 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 14.8 ptmt -119.23 119.92 35.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.862 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.17 101.36 13.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.946 HG12 HG11 ' A' ' 78' ' ' VAL . 2.9 m -103.71 -35.69 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.503 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.7 161.73 18.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.1 -177.4 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.639 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -151.29 112.45 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.475 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 1.2 tt0 -74.55 92.73 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' HG2' ' A' ' 27' ' ' LYS . 11.4 m -99.17 80.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.78 139.4 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.524 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.7 t -125.43 32.6 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.67 -169.57 4.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.532 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.3 m120 -83.66 165.24 19.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.4 t70 -94.86 -162.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.46 0.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -108.49 -1.31 19.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.46 -9.54 75.2 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.106 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.4 p-10 -77.45 153.85 81.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.0 130.04 12.91 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.513 HD12 ' O ' ' A' ' 31' ' ' SER . 41.8 mt -75.22 -94.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 20.1 ttmt 72.13 121.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.495 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 1.6 ptt85 -126.14 69.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.026 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -39.3 146.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.759 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.4 mm100 -89.68 179.36 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 1.016 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.71 70.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.503 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.6 tt0 -64.66 66.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.59 1.181 . . . . 0.0 110.256 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.95 HD12 ' CG2' ' A' ' 21' ' ' THR . 1.7 pt -65.37 -176.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -119.24 0.9 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.502 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.3 mm100 49.37 107.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.471 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -115.57 -33.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.53 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -144.41 164.54 30.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.406 ' HG2' HG22 ' A' ' 19' ' ' ILE . 2.1 ttp -144.8 70.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.007 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -40.67 -77.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.542 ' O ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.23 165.89 21.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.525 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 128.8 -137.26 9.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.585 ' CD ' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.03 -163.11 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.79 -30.13 4.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.0 -81.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.556 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.6 t70 154.92 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.202 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.683 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.2 mm -102.83 -79.88 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.538 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 76.66 -8.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.589 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -143.45 94.09 2.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.807 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -104.33 171.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.388 1.055 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.759 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.0 m-85 -119.67 163.76 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.886 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.0 t -176.64 -174.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.625 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.04 148.3 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.026 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.99 -161.3 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.407 1.741 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.7 OUTLIER 58.42 -170.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.6 p -70.14 54.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.052 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 56.02 96.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.638 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -103.22 -34.42 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.175 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.67 ' HA ' HD22 ' A' ' 100' ' ' LEU . 19.6 m -131.7 10.98 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.813 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -150.54 -156.01 7.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.99 HG23 HD12 ' A' ' 104' ' ' ILE . 15.0 t -115.15 1.09 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 74' ' ' VAL . 79.2 p 30.03 84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.112 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.87 129.77 49.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.466 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.6 p30 -116.25 -3.46 11.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.982 HG22 ' O ' ' A' ' 82' ' ' LYS . 0.9 OUTLIER 72.04 -52.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.13 -15.33 0.38 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.503 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.6 -32.63 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.538 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -102.86 -95.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.982 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 163.81 -66.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.526 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -161.66 166.61 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.12 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.5 p90 -150.69 153.75 36.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.781 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.34 0.21 46.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.12 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 13.36 100.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.018 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.96 109.77 11.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.94 177.02 21.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.695 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 3.3 tttm -51.03 -28.63 10.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.715 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 83.68 -178.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.547 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.8 tp10 -136.92 -37.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.44 -150.33 11.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.7 130.08 45.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 0.75 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 83.8 -4.37 82.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -166.77 141.65 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.799 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -140.49 -158.6 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.94 130.28 27.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.69 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.807 HD13 HG21 ' A' ' 63' ' ' ILE . 10.2 pt -141.61 142.1 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.217 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.669 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.7 OUTLIER -140.37 159.49 42.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.67 HD22 ' HA ' ' A' ' 72' ' ' CYS . 1.0 OUTLIER -55.19 -46.64 75.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 2.4 t -61.69 -32.29 72.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 108.265 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.493 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 10.2 t0 -74.87 167.73 21.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.018 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -70.82 117.2 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.937 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.99 HD12 HG23 ' A' ' 74' ' ' VAL . 4.2 pt -165.53 132.35 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.634 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -152.0 159.35 33.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.604 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.0 Cg_endo -75.04 10.41 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.697 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 18.0 t90 71.38 -59.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.047 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.667 ' O ' HG23 ' A' ' 109' ' ' THR . 16.1 t70 -69.33 52.49 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.675 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.0 p -159.29 -56.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.947 HD22 ' HB3' ' A' ' 114' ' ' GLN . 52.1 mt 11.25 -108.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.45 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.583 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.93 -65.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.356 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.52 ' N ' HG22 ' A' ' 112' ' ' THR . 25.2 m -49.83 -26.59 4.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.452 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.947 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.5 mp0 -83.04 -31.15 27.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.576 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -75.5 -43.44 49.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.57 ' CE ' ' OE1' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -62.59 -13.44 31.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.619 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -96.74 -15.1 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 110.026 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.007 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 76.0 mt -69.63 -31.11 69.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -86.46 -19.56 29.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 0.3 OUTLIER -85.8 43.52 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.641 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.407 ' HD2' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 52.24 -101.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.644 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 47.5 p90 -149.06 12.41 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.644 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 3.0 tt0 160.63 61.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 110.274 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.537 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -70.92 54.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.44 24.67 24.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.417 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -59.17 -167.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.407 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 1.1 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.74 ' O ' HD21 ' A' ' 100' ' ' LEU . 77.1 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.53 ' C ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -26.88 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' A' ' 1' ' ' CYS . 43.6 t -150.79 133.92 16.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 108.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -62.23 109.39 2.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.4 Cg_endo -74.97 76.76 3.29 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.467 1.772 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.757 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.1 p -98.79 -133.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.757 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.7 OUTLIER 43.54 93.96 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.129 . . . . 0.0 109.594 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.46 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.0 -32.97 4.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.801 HE21 ' HB2' ' A' ' 126' ' ' CYS . 1.6 tp60 -114.75 -36.33 4.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.451 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -58.16 -11.7 2.85 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.877 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.05 -34.94 29.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.895 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -89.44 -3.55 58.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.472 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 7.3 m -104.95 -9.67 17.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.371 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -103.47 -39.27 6.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.631 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.03 169.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.237 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -148.83 15.31 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.711 HG23 ' HD3' ' A' ' 56' ' ' PRO . 13.2 p -166.57 88.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.018 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -99.58 117.12 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.661 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.0 OUTLIER -142.27 124.74 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.634 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 8.2 mtp180 -78.1 39.67 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.919 HG21 HD12 ' A' ' 47' ' ' ILE . 2.2 t -60.09 179.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.73 ' HG2' HG22 ' A' ' 50' ' ' ILE . 13.7 ptmt -133.04 118.63 19.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.842 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.59 104.21 16.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.72 ' CG1' HG11 ' A' ' 78' ' ' VAL . 3.5 m -107.92 -35.85 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.37 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -113.71 161.64 17.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 110.06 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.5 mp0 -147.44 -177.23 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.64 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.3 ttpt -149.85 114.68 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 7.5 tt0 -75.3 92.27 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.537 HG13 ' HG2' ' A' ' 27' ' ' LYS . 22.3 m -103.99 119.64 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.437 ' CG ' ' HZ3' ' A' ' 41' ' ' LYS . 1.3 m-20 -61.7 159.12 14.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.663 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -146.69 18.2 1.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.162 . . . . 0.0 109.952 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.404 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 74.26 179.79 41.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.0 m-20 -84.14 164.41 19.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -96.16 -161.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.774 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.88 1.84 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -110.07 -0.34 18.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.582 1.176 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.31 -9.83 71.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.147 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.518 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.5 p-10 -77.72 154.6 81.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.08 129.76 12.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.663 HG21 ' OG ' ' A' ' 31' ' ' SER . 55.0 mt -65.2 -79.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.659 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.1 tppt? 69.56 125.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.483 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -130.63 68.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.319 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.952 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -40.07 146.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.754 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.7 mm100 -88.08 179.79 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.953 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.84 67.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.512 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.6 tt0 -63.35 70.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.919 HD12 HG21 ' A' ' 21' ' ' THR . 3.3 pt -66.34 -173.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.557 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -127.17 2.54 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 54.49 125.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.739 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -132.72 -30.23 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -155.03 167.25 30.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.48 ' HA ' HG22 ' A' ' 19' ' ' ILE . 3.2 ptp -144.83 69.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.105 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -38.28 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.616 ' HB3' HG23 ' A' ' 18' ' ' VAL . 13.7 tptp -133.24 72.26 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.1 -152.44 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.711 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.6 Cg_endo -74.96 -168.46 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.077 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -97.36 -33.81 11.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.24 -79.77 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.511 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.2 t70 155.65 170.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.572 HG21 HD13 ' A' ' 63' ' ' ILE . 1.8 mm -100.13 -74.23 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 72.81 -8.15 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.58 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -145.98 95.6 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -107.09 167.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.381 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.754 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.3 m-85 -121.33 152.26 39.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.924 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.5 t -167.38 -165.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.473 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.767 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.34 154.52 37.37 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.952 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.95 -161.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.88 -168.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.775 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 3.6 p -54.09 -40.18 67.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 152.29 102.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.717 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.9 OUTLIER -106.5 -44.49 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.167 . . . . 0.0 109.326 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.847 ' O ' HG22 ' A' ' 99' ' ' THR . 20.5 m -121.58 27.01 8.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 108.254 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.59 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -168.03 -153.62 8.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.886 HG23 HD12 ' A' ' 104' ' ' ILE . 96.1 t -121.08 -1.3 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.575 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.1 OUTLIER 34.68 82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.946 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.145 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.12 132.39 50.42 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.507 ' C ' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -118.22 1.27 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.72 HG11 ' CG1' ' A' ' 24' ' ' VAL . 3.4 t 68.88 -57.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -51.23 -13.56 1.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -116.13 -25.36 3.57 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -112.63 -90.04 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.5 -63.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -169.62 165.98 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.355 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.147 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.1 p90 -149.7 152.99 36.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.995 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.762 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.78 4.16 30.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.147 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 9.92 101.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.047 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.96 109.47 11.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.546 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.0 171.16 26.25 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.673 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -39.75 -36.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 83.78 175.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.517 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.2 tp10 -134.83 6.98 3.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.87 -122.85 4.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.04 142.56 50.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.24 -2.28 71.67 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.69 142.8 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 0.721 . . . . 0.0 109.345 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.661 ' HE3' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.54 -168.79 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.08 129.29 46.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.612 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.014 HD12 HG13 ' A' ' 86' ' ' ILE . 2.7 pt -141.52 141.67 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.847 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -142.1 164.7 29.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.74 HD21 ' O ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -58.49 -44.57 89.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.374 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 2.6 t -63.52 -32.35 73.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.429 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.3 t0 -75.83 168.27 20.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.047 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.9 115.52 11.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.886 HD12 HG23 ' A' ' 74' ' ' VAL . 7.9 pt -162.86 132.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.678 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -151.67 158.48 34.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.615 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 11.98 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.631 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.2 t90 71.13 -62.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 108.019 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.665 ' O ' HG23 ' A' ' 109' ' ' THR . 16.9 t70 -69.47 53.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.668 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.3 p -158.82 -56.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.383 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.016 HD22 ' HB3' ' A' ' 114' ' ' GLN . 61.9 mt 11.68 -107.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 147.47 -41.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.83 -62.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.553 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 21.3 m -51.63 -22.62 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.016 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.2 mp0 -87.22 -37.45 17.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.608 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.1 mtmt -67.5 -38.19 83.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.553 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 2.7 pttt -64.32 -16.84 62.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.678 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -97.42 -9.7 26.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 0.0 109.96 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.105 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 28.4 mt -72.63 -30.05 63.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -96.84 1.48 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.677 ' CD2' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -88.3 17.97 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.61 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 53.14 -91.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.589 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.3 OUTLIER -148.44 94.17 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.493 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 0.7 OUTLIER 55.2 59.24 4.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.414 1.071 . . . . 0.0 110.328 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.5 56.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.402 1.064 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 55.8 28.58 52.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.801 ' HB2' HE21 ' A' ' 9' ' ' GLN . 0.7 OUTLIER -60.86 -168.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.67 49.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.564 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -62.13 -173.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 108.284 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -141.34 124.24 9.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.98 134.77 18.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.436 1.756 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.759 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -154.84 -134.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.759 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.6 OUTLIER 32.94 90.49 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 4.38 4.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.535 HE21 ' H ' ' A' ' 127' ' ' GLU . 0.8 OUTLIER -140.46 -44.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.485 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.0 -7.21 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.203 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.779 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.57 -33.59 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.862 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.2 m-85 -89.89 -3.08 58.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.3 m -104.91 -13.79 15.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.7 OUTLIER -99.23 -39.95 8.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.581 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.55 172.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.36 13.6 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.764 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 5.0 p -167.55 90.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.033 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.3 t -99.82 116.33 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.598 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -141.85 123.59 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.651 ' CZ ' ' CZ3' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -76.79 40.96 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.322 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.969 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.3 t -63.32 174.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.374 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.541 ' HG2' HG22 ' A' ' 50' ' ' ILE . 12.8 ptmt -128.51 120.22 26.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.856 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.05 109.45 20.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.816 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.5 m -112.15 -35.62 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.493 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -116.11 169.38 9.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -151.9 179.28 8.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.1 ttpt -144.44 111.84 6.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.588 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 4.9 tt0 -74.33 91.68 2.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.357 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.498 HG13 ' HG2' ' A' ' 27' ' ' LYS . 33.1 m -107.31 116.56 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.5 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -57.54 162.25 3.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.556 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.1 t -147.4 18.57 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.66 177.5 46.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.2 m-80 -85.27 162.33 19.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 0.773 . . . . 0.0 109.291 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.8 t0 -93.74 -162.6 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.754 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -80.19 1.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.21 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -109.52 -0.79 18.64 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.5 -8.88 75.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.527 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.1 p-10 -78.31 153.36 79.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.09 130.14 12.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 31' ' ' SER . 64.6 mt -64.97 -79.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.588 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.2 tppt? 70.03 125.25 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.529 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.2 68.97 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.977 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.47 139.34 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.643 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 5.8 mm100 -81.72 -177.86 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.955 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.84 69.3 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.9 tt0 -63.17 68.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.969 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.6 pt -66.66 -175.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.464 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -120.52 -3.86 9.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.53 ' CD ' ' OD1' ' A' ' 59' ' ' ASP . 19.2 mm100 59.85 125.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.601 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -134.16 -38.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -144.51 151.16 38.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.379 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.423 ' HA ' HG22 ' A' ' 19' ' ' ILE . 4.3 ptt? -135.45 67.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.99 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.561 ' CG ' HD23 ' A' ' 118' ' ' LEU . 46.7 m-85 -44.55 -73.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.734 ' HB3' HG23 ' A' ' 18' ' ' VAL . 13.3 tptt -125.88 159.56 32.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.45 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 134.25 -143.96 15.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -163.04 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -116.67 -30.99 5.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.36 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -71.14 -76.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.677 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 2.7 t0 149.89 163.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.683 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.3 mm -104.57 -76.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.68 -9.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.286 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.596 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -142.4 93.7 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.95 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.014 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -97.96 171.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.582 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.96 146.8 49.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.775 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.8 t -161.21 -161.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.596 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -106.58 153.75 40.41 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.384 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.977 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.07 -160.13 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.32 -170.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.994 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.7 p -73.42 53.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 63.4 102.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.669 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -112.14 -30.57 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.678 ' HA ' HD22 ' A' ' 100' ' ' LEU . 12.1 m -132.04 12.2 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 108.256 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.604 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.81 -151.58 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.919 HG23 HD12 ' A' ' 104' ' ' ILE . 99.2 t -115.69 4.71 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.539 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 19.1 p 27.81 86.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.09 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.155 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.29 136.89 43.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.514 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -126.08 -0.31 7.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.068 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.4 t 72.34 -54.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.66 -11.18 1.81 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -118.99 -30.63 1.57 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.537 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -112.27 -95.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 0.794 . . . . 0.0 109.294 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.068 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.53 -84.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 106' ' ' PRO . 5.1 mp0 -145.52 159.28 43.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.155 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.3 p90 -145.4 152.61 40.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.764 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.27 5.01 24.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.144 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 9.31 101.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.033 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -127.48 106.63 9.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.63 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -159.67 156.31 27.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -36.22 94.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 109.359 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.764 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -55.57 175.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.516 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 21.0 tp10 -120.94 5.85 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.181 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.4 -108.47 0.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.114 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.04 135.98 23.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 84.83 -2.22 88.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.683 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.23 142.73 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.774 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.94 -168.6 3.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.564 ' ND1' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -127.47 130.61 49.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.606 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.014 HD13 HG21 ' A' ' 63' ' ' ILE . 4.8 pt -141.78 142.57 28.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.577 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.7 OUTLIER -140.02 163.82 31.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.413 1.071 . . . . 0.0 110.421 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -58.92 -46.57 87.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.441 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -62.44 -29.59 70.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 108.37 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.488 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 6.4 t0 -75.59 167.5 21.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.027 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -71.16 117.95 13.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.919 HD12 HG23 ' A' ' 74' ' ' VAL . 5.4 pt -164.84 135.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.613 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.83 157.61 30.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.561 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.0 Cg_endo -75.02 4.62 4.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.726 ' HD1' HD12 ' A' ' 85' ' ' LEU . 1.8 t90 77.92 -56.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.003 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.555 ' O ' HG23 ' A' ' 109' ' ' THR . 38.8 t70 -69.24 50.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.245 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.715 ' O ' ' C ' ' A' ' 110' ' ' LEU . 20.9 p -158.32 -51.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.026 HD22 ' HB3' ' A' ' 114' ' ' GLN . 42.7 mt 4.45 -105.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.653 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 144.92 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.36 -64.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.468 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.507 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 19.9 m -50.15 -25.29 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.026 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.6 mp0 -83.8 -35.19 24.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.619 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -70.4 -42.57 71.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.528 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.95 -19.43 64.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.648 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -96.62 -6.96 35.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.942 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.561 HD23 ' CG ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -81.7 -23.81 36.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.426 ' ND2' ' C ' ' A' ' 119' ' ' ASN . 0.5 OUTLIER -105.6 12.54 31.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -88.02 13.96 10.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.079 . . . . 0.0 109.598 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.413 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 66.59 -71.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.445 ' HB2' ' CD ' ' A' ' 54' ' ' LYS . 7.9 t80 -174.05 92.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.507 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 2.3 tt0 55.12 47.97 20.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.8 56.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 61.74 22.56 62.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 111.054 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.403 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -58.91 -177.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.535 ' H ' HE21 ' A' ' 9' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.813 ' H1 ' ' HA ' ' A' ' 72' ' ' CYS . 93.1 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 31.15 39.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.584 ' H ' HD21 ' A' ' 100' ' ' LEU . 4.7 t -93.4 136.57 33.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 108.278 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.9 p -67.38 111.41 7.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.465 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.6 Cg_endo -74.95 70.1 5.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.401 1.738 . . . . 0.0 111.055 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.75 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.0 p -93.66 -134.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.75 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.8 p80 40.62 93.81 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.6 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.439 1.758 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.562 HE21 ' HB2' ' A' ' 126' ' ' CYS . 0.8 OUTLIER -121.19 -38.48 2.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 12.0 mt-30 -58.25 -9.27 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.835 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.37 -38.29 24.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.878 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -87.42 1.47 53.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.493 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.0 OUTLIER -109.56 -16.77 13.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 108.287 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -94.9 -38.66 10.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.59 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.06 173.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.399 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.429 ' OD1' ' CE2' ' A' ' 122' ' ' TYR . 14.4 m-20 -155.66 18.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.895 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 7.3 p -167.45 80.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.949 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.93 117.45 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.647 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -143.09 125.03 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.696 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 6.1 mtp180 -75.77 38.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.854 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.3 t -59.89 169.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.615 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 14.7 ptmt -124.55 119.31 28.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.788 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.72 94.7 8.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.687 ' CG1' HG11 ' A' ' 78' ' ' VAL . 11.3 m -98.28 -35.71 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.517 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -113.43 162.06 16.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.73 -177.16 5.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.645 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -152.32 111.72 3.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.499 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -74.41 92.1 2.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.234 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' HG2' ' A' ' 27' ' ' LYS . 12.5 m -98.51 80.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -45.36 140.06 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.525 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.5 t -125.53 29.87 5.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 59.94 -169.91 7.04 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.7 m-20 -83.83 164.68 19.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 0.726 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.5 t0 -95.23 -162.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.14 1.26 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -108.35 -1.33 20.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.96 -9.07 75.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -78.08 153.21 79.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.791 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.12 129.13 11.95 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 31' ' ' SER . 33.3 mt -73.63 -96.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 22.9 ttmt 73.42 122.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -127.14 68.39 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.994 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -37.74 146.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.729 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.1 mm100 -89.57 179.21 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.974 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.24 68.33 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.517 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.5 tt0 -63.24 70.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.854 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -65.32 -167.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.652 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.9 ttpt -133.52 12.34 4.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.652 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 41.9 110.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.546 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -118.48 -28.87 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.534 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -152.63 167.8 27.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.51 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.19 69.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.792 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -40.98 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -132.22 71.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.02 -157.83 9.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.641 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.98 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.43 1.753 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -87.89 -33.61 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.547 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.03 -81.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 0.0 109.252 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 5.0 t70 152.45 170.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.064 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.623 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -102.48 -72.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 73.64 -9.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -145.72 98.49 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.957 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -105.8 168.51 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.729 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 5.6 m-85 -121.6 151.77 40.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.864 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 3.9 t -166.99 -169.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.348 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.672 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -103.3 149.62 37.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.994 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.02 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 65.89 -157.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.941 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.716 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 5.7 p -80.77 25.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.72 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 86.19 99.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.654 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -106.25 -41.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.219 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.813 ' HA ' ' H1 ' ' A' ' 1' ' ' CYS . 13.1 m -121.97 12.81 10.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.72 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -151.37 -161.82 10.33 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.922 HG23 HD12 ' A' ' 104' ' ' ILE . 43.8 t -109.5 -0.57 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.76 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 74' ' ' VAL . 25.8 p 31.04 79.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 110.044 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.001 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.03 129.52 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.24 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.539 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -107.48 -8.34 16.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.959 HG22 ' O ' ' A' ' 82' ' ' LYS . 2.5 t 70.51 -52.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.89 -15.48 0.17 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -117.59 -30.73 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.539 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -103.0 -93.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.959 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.36 -84.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 7.6 mp0 -151.15 149.68 29.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.152 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -126.37 154.5 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.702 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.55 4.4 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.152 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.13 105.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.011 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -130.81 109.91 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.576 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.77 -177.7 19.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.616 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.4 -32.21 25.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.895 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 78.45 175.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.534 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.7 tp10 -133.15 4.58 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.14 -124.83 4.47 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.04 141.9 51.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 0.726 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 79.4 -3.91 65.62 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.623 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -173.89 139.66 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.715 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.77 -173.29 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.998 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.46 130.68 53.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.957 HD13 HG21 ' A' ' 63' ' ' ILE . 14.7 pt -142.11 133.35 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.639 ' O ' HD11 ' A' ' 104' ' ' ILE . 63.0 p -133.39 159.9 38.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.654 HD22 ' O ' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -54.2 -16.88 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 99' ' ' THR . 0.4 OUTLIER -96.26 -26.71 15.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 108.273 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.638 ' O ' ' C ' ' A' ' 103' ' ' PHE . 8.6 t0 -83.44 104.49 13.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.011 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -11.68 120.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.922 HD12 HG23 ' A' ' 74' ' ' VAL . 3.9 pt -166.97 135.45 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.685 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.77 157.96 31.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.646 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.09 12.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.696 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.2 t90 70.92 -61.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.674 ' O ' HG23 ' A' ' 109' ' ' THR . 43.7 t0 -69.36 52.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 108' ' ' ASP . 1.9 p -159.13 -55.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.995 HD22 ' HB3' ' A' ' 114' ' ' GLN . 62.9 mt 10.9 -106.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 148.52 -43.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.558 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.8 -65.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.397 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.538 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 22.4 m -50.37 -21.23 1.34 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.995 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.3 mp0 -87.38 -37.93 16.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.647 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.5 mtmt -67.42 -39.06 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.538 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 1.9 pttt -64.14 -14.57 55.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.622 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -97.68 -15.5 20.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.792 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 83.0 mt -71.86 -29.33 64.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.417 ' ND2' ' C ' ' A' ' 119' ' ' ASN . 1.2 p-10 -91.05 -14.41 31.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.528 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 0.0 OUTLIER -91.39 30.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.625 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.433 ' HD2' ' NZ ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER 64.35 -110.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.581 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 25.7 p90 -137.85 4.96 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.8 OUTLIER 167.23 57.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.528 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -70.24 53.7 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.51 15.3 31.78 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.561 1.163 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.562 ' HB2' HE21 ' A' ' 9' ' ' GLN . 0.8 OUTLIER -67.39 -166.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.418 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 7.2 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.911 ' O ' HD21 ' A' ' 100' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.91 63.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.705 ' H ' HD21 ' A' ' 100' ' ' LEU . 2.4 m -65.06 -159.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.467 1.105 . . . . 0.0 108.304 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 p -141.35 113.83 6.77 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.484 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 71.45 4.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.787 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.742 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -82.78 -133.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.742 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 32.62 91.24 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.616 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.765 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.96 3.82 5.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.414 1.744 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.633 HE22 ' HG ' ' A' ' 117' ' ' SER . 44.8 tp60 -140.52 -41.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 1.1 mt-30 -67.3 -6.32 18.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.771 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.33 -36.8 22.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.876 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -87.25 -4.88 59.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 3.1 m -102.8 -16.65 15.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 108.277 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -94.2 -40.4 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.62 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.6 173.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.49 17.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.827 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 6.9 p -166.94 81.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.938 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.96 119.39 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.565 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -145.45 126.72 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.686 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.4 ttp180 -77.85 42.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.969 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.9 t -64.41 165.53 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 13.4 ptmt -119.43 122.23 41.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.836 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -95.93 103.28 15.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.599 1.187 . . . . 0.0 109.322 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.951 HG12 HG11 ' A' ' 78' ' ' VAL . 4.6 m -107.58 -38.01 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.49 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.3 t -113.16 159.01 19.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HB3' HG23 ' A' ' 43' ' ' ILE . 1.1 mp0 -144.79 -175.64 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.36 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.641 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.6 ttpt -151.93 114.76 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.617 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 0.7 OUTLIER -74.97 95.79 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.563 HG13 ' HG2' ' A' ' 27' ' ' LYS . 6.2 m -102.55 78.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.45 140.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.4 t -126.9 31.42 5.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.972 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.17 -170.33 7.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.429 1.08 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.1 m-20 -84.41 165.87 17.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -96.09 -161.9 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.67 0.16 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.217 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -107.89 -0.74 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.66 -8.98 75.66 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -77.51 152.55 81.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.383 0.696 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.11 129.34 12.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.478 HD12 ' O ' ' A' ' 31' ' ' SER . 25.3 mt -73.12 -95.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' HD3' ' CD1' ' A' ' 43' ' ' ILE . 17.3 ttmt 73.14 118.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.47 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 1.1 ptt180 -122.56 67.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.617 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 1.2 mp -38.1 146.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.772 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.8 mm100 -88.7 -179.51 6.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.996 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.33 68.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 14.4 tt0 -62.34 68.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.969 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.5 pt -65.97 -176.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.7 OUTLIER -118.39 -4.81 10.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.511 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 14.2 mm100 54.31 111.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.464 HD11 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -118.76 -35.25 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' N ' HG12 ' A' ' 50' ' ' ILE . 1.5 tttt -144.7 163.66 33.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.527 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -143.27 68.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 111.032 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.116 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.3 m-85 -37.84 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.89 73.55 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 17' ' ' VAL . . . -121.72 -162.52 11.65 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.66 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.06 -172.81 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.434 1.755 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -93.03 -33.75 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.627 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -74.31 -81.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.627 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 153.7 165.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.596 1.185 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.584 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -105.63 -79.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.533 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.09 -8.7 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.579 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.0 m-85 -142.81 94.24 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.991 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -100.99 171.26 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.772 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 7.3 m-85 -122.39 154.9 37.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.895 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.9 t -171.91 -170.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.546 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -105.57 146.39 32.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.443 ' O ' HG13 ' A' ' 71' ' ' VAL . 18.2 Cg_endo -75.0 -161.26 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER 58.73 -168.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.06 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 70' ' ' ALA . 15.4 p -68.77 55.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.021 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.81 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 51.96 101.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.488 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -102.59 -37.91 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.666 ' HA ' HD22 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -133.83 20.11 3.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 108.256 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.81 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -154.04 -163.11 11.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.422 1.076 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.939 HG23 HD12 ' A' ' 104' ' ' ILE . 62.7 t -110.23 5.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 74' ' ' VAL . 90.0 p 26.7 85.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.121 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.31 133.08 48.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.333 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.521 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.1 p30 -120.17 -4.63 10.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.067 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.4 t 72.96 -49.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -54.67 -11.83 3.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.54 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -120.57 -36.69 0.77 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.54 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -101.26 -96.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 0.725 . . . . 0.0 109.328 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.067 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.25 -82.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.555 ' O ' ' O ' ' A' ' 106' ' ' PRO . 1.3 mp0 -148.21 158.24 43.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.142 ' CG ' HD13 ' A' ' 86' ' ' ILE . 3.0 p90 -142.35 152.37 42.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.722 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.23 4.49 26.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.142 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.04 105.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.031 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -130.96 111.02 11.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.612 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.31 177.98 22.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.599 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.2 tttm -49.79 -26.66 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.238 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.827 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 76.83 175.43 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.7 tp10 -132.98 5.24 3.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.1 -121.36 3.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.78 142.81 50.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 79.93 -5.71 61.38 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.584 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -172.73 147.22 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.789 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.715 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.16 -169.53 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.55 132.28 52.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.0 109.65 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.991 HD13 HG21 ' A' ' 63' ' ' ILE . 10.6 pt -145.02 135.74 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.654 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.4 p -137.98 162.88 32.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.911 HD21 ' O ' ' A' ' 1' ' ' CYS . 0.7 OUTLIER -60.89 -27.6 68.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -31.04 55.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 108.3 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.414 ' O ' HG12 ' A' ' 104' ' ' ILE . 3.2 t0 -80.9 170.09 16.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.223 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.031 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.27 118.87 13.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 111.058 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.939 HD12 HG23 ' A' ' 74' ' ' VAL . 6.1 pt -165.26 135.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.548 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.73 158.26 31.71 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.572 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.98 7.4 2.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.686 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 9.2 t90 74.57 -58.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 107.998 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 109' ' ' THR . 53.7 t0 -69.45 51.22 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 8.5 p -158.32 -51.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.007 HD22 ' HB3' ' A' ' 114' ' ' GLN . 53.6 mt 5.52 -107.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.387 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 145.51 -39.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.615 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.66 -64.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 110.451 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 8' ' ' PRO . 2.9 m -48.54 -26.85 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.007 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.8 mp0 -83.75 -35.43 24.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.389 1.055 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.468 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -68.91 -41.55 78.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.55 -15.13 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.637 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -97.83 -8.71 27.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.037 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.116 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 49.5 mt -77.29 -29.85 53.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.53 -9.98 22.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.619 ' CE1' ' OG ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -90.29 30.44 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.62 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 120' ' ' HIS . 10.3 mmt-85 66.7 -116.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.607 1.192 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.553 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 32.4 p90 -137.34 4.51 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.553 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.1 OUTLIER 172.82 65.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.58 ' HB2' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.31 54.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 48.07 22.33 2.14 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.4 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -57.81 -169.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.248 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.64 ' SG ' HG23 ' A' ' 71' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.0 63.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.73 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.1 t -95.93 161.17 14.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 37.2 p -97.27 127.52 38.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.94 101.39 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.713 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.6 p -121.52 -132.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.713 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.39 90.47 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.394 0 O-C-N 124.458 1.099 . . . . 0.0 109.605 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.06 -28.8 8.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.441 1.759 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.599 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 40.7 tp60 -115.53 -31.62 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -70.42 -6.92 39.19 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.722 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.7 -36.72 21.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.408 1.067 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.911 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.1 m-85 -90.19 7.25 39.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.458 ' SG ' ' NE2' ' A' ' 9' ' ' GLN . 6.4 m -116.4 -8.72 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 108.34 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.36 -38.91 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.646 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.76 172.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.78 14.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.654 HG23 ' HD3' ' A' ' 56' ' ' PRO . 13.6 p -165.68 87.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.944 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -98.78 120.06 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.611 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -145.7 125.98 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.68 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.1 mtp180 -76.96 39.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.571 1.169 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.006 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.9 t -63.75 163.27 11.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 14.6 ptmt -118.62 122.3 42.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.834 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.49 101.04 12.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.936 HG12 HG11 ' A' ' 78' ' ' VAL . 5.3 m -104.28 -34.87 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.515 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.0 t -116.88 161.7 18.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.051 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.2 mp0 -144.36 -176.38 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.0 ttpt -152.1 113.09 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.3 tt0 -75.0 92.05 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.585 HG13 ' HG2' ' A' ' 27' ' ' LYS . 11.5 m -99.28 95.48 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.504 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.7 m-20 -44.9 146.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.679 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -133.08 18.71 4.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.86 -175.24 23.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.525 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.2 m120 -84.66 164.87 18.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 0.754 . . . . 0.0 109.238 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.4 t0 -94.52 -162.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.785 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.08 0.84 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -107.93 -0.71 21.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 -8.66 76.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.525 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -78.87 154.09 77.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 131.54 14.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.679 HG21 ' OG ' ' A' ' 31' ' ' SER . 47.1 mt -73.31 -83.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.33 123.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.484 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 2.3 ptt180 -128.82 67.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.907 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.54 143.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.2 mm100 -86.52 -177.78 6.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.977 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.59 68.76 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.8 tt0 -62.03 71.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.006 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.9 pt -70.64 -176.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -119.99 10.11 11.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.568 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.0 mm100 36.8 100.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.5 ' CD1' ' OE2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -108.64 -33.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.536 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -143.93 162.83 35.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.3 OUTLIER -144.46 70.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 111.044 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.022 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.3 m-85 -36.46 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -132.02 80.94 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.179 . . . . 0.0 109.341 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.95 -160.86 10.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.573 1.17 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.654 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.02 -171.44 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -94.68 -33.6 12.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.606 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -72.84 -79.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.606 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.3 t70 148.2 165.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.393 1.058 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.768 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.7 OUTLIER -106.88 -78.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 74.23 -9.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -142.36 96.35 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.062 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -99.65 169.35 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -123.24 150.0 44.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.812 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.8 t -165.92 -163.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -107.66 153.51 41.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.907 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.01 -159.23 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.529 1.805 . . . . 0.0 111.005 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.411 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.4 OUTLIER 58.76 -168.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.975 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 0.4 OUTLIER -75.86 48.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.03 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.589 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 67.53 100.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.64 HG23 ' SG ' ' A' ' 1' ' ' CYS . 0.6 OUTLIER -109.29 -34.61 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.7 ' HA ' HD22 ' A' ' 100' ' ' LEU . 12.1 m -127.22 8.58 6.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.289 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.607 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.8 -149.94 5.13 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.904 HG23 HD12 ' A' ' 104' ' ' ILE . 87.2 t -117.67 3.83 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.561 ' OG ' ' HB2' ' A' ' 70' ' ' ALA . 90.1 p 28.34 83.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.096 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.44 129.65 50.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.587 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -117.0 -8.38 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.936 HG11 HG12 ' A' ' 24' ' ' VAL . 1.4 t 75.49 -28.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.569 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.59 -11.19 34.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.501 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -128.57 -34.21 0.54 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -95.78 -101.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.895 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.74 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.515 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -161.7 166.19 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 110.309 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.146 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.4 p90 -149.75 152.36 35.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.699 HD11 HG23 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -83.33 4.88 25.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.146 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.08 104.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.023 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.82 109.51 10.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.504 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.88 178.17 22.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.697 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -47.03 -38.69 11.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.43 176.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.536 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.6 tp10 -134.55 5.97 3.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.595 1.184 . . . . 0.0 110.345 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.02 -121.73 3.84 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.496 1.123 . . . . 0.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -130.13 144.44 51.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.484 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.52 -4.48 59.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.586 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.26 144.0 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 109.258 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.768 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -145.77 -168.35 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.432 ' ND1' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -130.2 128.46 41.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.588 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.062 HD13 HG21 ' A' ' 63' ' ' ILE . 4.0 pt -140.13 141.43 33.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.585 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -138.03 164.51 28.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.402 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.73 HD11 ' O ' ' A' ' 3' ' ' CYS . 1.4 pt? -58.86 -48.07 82.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.453 ' H ' HD23 ' A' ' 100' ' ' LEU . 2.6 t -61.32 -27.63 68.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 108.385 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.487 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.3 t0 -77.87 165.75 23.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.023 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.23 117.63 12.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.904 HD12 HG23 ' A' ' 74' ' ' VAL . 6.4 pt -164.99 135.08 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.699 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.57 158.6 32.65 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.615 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.98 11.19 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.68 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 19.4 t90 71.57 -61.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.94 -1.134 . . . . 0.0 107.94 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 109' ' ' THR . 32.3 t70 -69.6 53.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.684 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.4 p -158.87 -53.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.016 HD22 ' HB3' ' A' ' 114' ' ' GLN . 72.5 mt 9.48 -107.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 145.85 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.059 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.591 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.2 -64.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.393 1.058 . . . . 0.0 110.413 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 15.2 m -49.55 -26.03 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.176 . . . . 0.0 110.401 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.016 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.4 mp0 -84.01 -36.28 23.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.584 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -69.23 -42.29 75.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.539 ' NZ ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -62.07 -15.06 42.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.61 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.95 -21.6 18.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.024 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.022 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 75.2 mt -63.88 -29.24 70.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -88.06 -8.86 54.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.555 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 0.1 OUTLIER -81.81 6.76 14.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.575 1.172 . . . . 0.0 109.631 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.488 ' CB ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 62.07 -85.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.554 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.2 OUTLIER -151.45 91.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.435 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 1.7 tt0 55.38 67.46 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.555 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -68.64 57.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 111.011 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 49.77 25.73 7.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -171.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 71' ' ' VAL . 27.2 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -172.76 46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.582 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.3 m -58.39 -162.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.127 . . . . 0.0 108.263 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.2 p -143.18 117.92 6.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.05 73.86 4.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.75 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -83.98 -132.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.75 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 31.42 90.86 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 0.0 109.506 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.743 ' O ' HG22 ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.01 5.06 4.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.541 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 61.7 tp60 -142.08 -40.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.3 mt-30 -70.16 -0.94 8.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.787 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -89.2 -34.02 16.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.865 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.3 m-85 -88.98 -20.46 24.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 4.7 m -86.81 -13.45 45.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 108.36 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.91 -43.06 7.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.65 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -51.88 169.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -149.6 16.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 17' ' ' VAL . 6.2 p -164.57 82.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.914 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -97.47 120.63 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.712 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.94 125.54 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.646 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 17.4 mtp180 -77.35 41.13 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.917 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.4 t -62.65 173.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 110.339 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.619 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.5 ptmt -127.34 119.55 26.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.835 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.89 103.14 15.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.871 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.8 m -106.18 -37.04 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.516 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -110.47 167.55 10.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -152.72 -175.69 5.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.246 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -152.02 115.2 4.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 1.2 tt0 -76.48 93.97 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.432 HG13 ' HG2' ' A' ' 27' ' ' LYS . 30.8 m -109.95 119.18 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 1.8 m-20 -68.13 155.33 39.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB3' HG22 ' A' ' 40' ' ' ILE . 4.4 t -137.27 20.65 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 77.75 179.31 49.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.512 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -83.3 162.94 20.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.6 t70 -94.97 -160.62 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.78 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.67 -0.15 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -108.24 -0.81 20.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.06 -9.47 74.59 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.512 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -77.21 152.89 82.07 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.04 128.91 11.83 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.554 1.818 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.474 HG22 ' HB3' ' A' ' 31' ' ' SER . 55.9 mt -65.43 -86.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 19.7 ttmm 74.97 127.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -131.83 69.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.96 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -37.98 148.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.804 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.4 mm100 -89.81 177.31 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 1.017 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.68 67.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.516 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 11.2 tt0 -62.48 70.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.917 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.4 pt -65.7 -174.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -124.64 0.57 8.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 55.16 124.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.638 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -131.5 -33.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.472 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -151.12 165.04 35.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.537 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.3 OUTLIER -144.2 71.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.95 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.656 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -42.21 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -129.07 62.69 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.31 -159.41 12.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.498 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.08 -167.43 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -94.38 -36.22 12.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.523 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -80.21 -80.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.523 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t0 155.58 170.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.644 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.4 mm -100.14 -71.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.13 -9.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.607 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -146.64 99.25 3.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.004 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -104.52 171.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.804 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 11.1 m-85 -124.04 145.53 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.064 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.739 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.2 t -162.42 -166.54 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -103.04 149.91 37.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.96 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.05 -160.46 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.46 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.41 -160.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.74 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 47.9 t -80.21 25.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.991 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 89.89 99.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.568 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -105.92 -40.41 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.658 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 21.0 m -126.24 20.13 7.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 108.341 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.538 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -155.65 -158.49 8.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.985 HG23 HD12 ' A' ' 104' ' ' ILE . 26.0 t -113.85 -0.14 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.704 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER 32.12 88.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.05 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.073 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -103.39 133.96 47.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.54 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -116.91 -7.01 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.072 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 72.0 -53.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.468 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -49.43 -14.52 0.6 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.575 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -116.49 -35.98 1.13 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.575 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -101.26 -99.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.221 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.072 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 169.51 -83.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.558 ' O ' ' O ' ' A' ' 106' ' ' PRO . 5.7 mp0 -148.2 148.77 30.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.135 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.4 p90 -129.33 153.94 47.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.61 1.194 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.697 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.11 2.79 37.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.135 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.12 103.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.047 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.99 109.25 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.579 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -146.15 167.74 27.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.161 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.646 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.6 tttm -36.88 -34.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.65 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 81.31 176.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.53 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.4 tp10 -134.25 7.73 3.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.05 -121.92 4.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.54 145.34 51.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.589 0.817 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 76.91 -2.92 58.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.644 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.66 147.36 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 0.731 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.725 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -150.05 -168.96 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.28 132.26 50.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.567 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.004 HD13 HG21 ' A' ' 63' ' ' ILE . 10.1 pt -145.46 135.29 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.664 ' O ' HD11 ' A' ' 104' ' ' ILE . 5.9 p -135.74 163.27 30.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.582 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -62.35 -28.55 69.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -26.92 51.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 108.292 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.414 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.7 t70 -83.83 172.48 12.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.047 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -72.64 119.2 16.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.985 HD12 HG23 ' A' ' 74' ' ' VAL . 5.2 pt -165.57 134.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.618 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.69 157.64 31.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.581 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 10.62 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.463 1.77 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.519 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 15.8 t90 71.89 -59.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.646 ' O ' HG23 ' A' ' 109' ' ' THR . 25.6 t70 -68.74 51.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.7 p -158.66 -54.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.965 HD22 ' HB3' ' A' ' 114' ' ' GLN . 48.2 mt 7.43 -108.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 147.74 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.615 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.63 -65.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.435 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.743 HG22 ' O ' ' A' ' 8' ' ' PRO . 2.4 m -48.23 -24.0 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.965 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.9 mp0 -86.88 -39.58 15.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.518 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -65.19 -38.99 92.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.521 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.5 -18.46 59.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.626 ' HA ' ' CD2' ' A' ' 120' ' ' HIS . 0.2 OUTLIER -92.81 -11.46 33.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.945 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.656 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 63.3 mt -85.02 -21.84 29.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.49 -48.63 8.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.688 ' CD2' ' O ' ' A' ' 120' ' ' HIS . 0.3 OUTLIER -78.15 49.09 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.508 ' O ' ' HB3' ' A' ' 122' ' ' TYR . 72.8 mmt-85 63.65 -72.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.52 ' O ' ' O ' ' A' ' 12' ' ' PHE . 4.4 p90 177.17 -31.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.437 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 2.2 tt0 -145.94 63.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.514 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -75.72 54.6 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 55.93 30.59 57.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.7 -171.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.243 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.927 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 17.1 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 62.59 8.85 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.468 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.9 m -60.91 172.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 108.389 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.9 p -108.66 108.5 60.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.421 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -75.04 127.3 10.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.772 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -153.73 -134.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.772 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.9 p80 37.42 89.93 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.542 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.94 0.94 8.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.524 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.8 OUTLIER -136.45 -42.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.534 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -62.44 -7.96 5.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.772 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.8 -34.7 30.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.864 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.3 m-85 -90.3 2.57 55.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.489 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.6 m -110.03 -13.32 14.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 108.276 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.08 -41.45 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.614 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.03 170.94 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.87 12.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.798 HG21 ' SD ' ' A' ' 96' ' ' MET . 4.6 p -166.68 93.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.027 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -101.03 122.12 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.553 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.88 124.72 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.674 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 5.3 mtm180 -77.84 38.66 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.082 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.96 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.3 t -61.47 170.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.48 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 15.4 ptmt -124.49 120.49 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.884 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.68 105.0 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.74 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.3 m -106.88 -37.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.53 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -113.05 167.14 10.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -150.04 -173.41 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.677 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.0 ttpt -154.12 113.44 3.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.474 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -76.51 91.53 3.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 29' ' ' VAL . 32.0 m -106.15 108.31 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.543 ' CG ' ' HZ1' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -64.27 148.95 49.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.459 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.1 t -130.24 26.27 5.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.932 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.39 -177.35 33.17 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.565 1.165 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -84.23 163.69 19.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.5 t0 -95.39 -161.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.788 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.5 mp -80.71 0.7 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.18 -1.06 20.59 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.52 -8.64 76.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.416 1.072 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.76 152.16 77.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.9 129.23 12.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.411 1.742 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 31' ' ' SER . 54.4 mt -68.08 -89.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.543 ' HZ1' ' CG ' ' A' ' 30' ' ' ASP . 20.3 ttmm 74.04 126.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.509 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -132.14 69.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.943 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -37.94 150.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.799 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.4 mm100 -92.57 178.92 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.908 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -135.7 69.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.53 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.2 tt0 -63.78 66.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.569 1.168 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.96 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.0 pt -65.8 -178.29 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 9.5 ttpt -115.55 -7.53 12.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.175 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.529 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.6 mm100 56.9 112.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.439 HG12 ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -120.57 -34.35 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.504 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -144.27 163.62 33.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.343 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.473 ' O ' ' CG ' ' A' ' 52' ' ' MET . 3.5 ptp -145.37 72.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.855 ' CE2' HD22 ' A' ' 118' ' ' LEU . 1.7 m-85 -42.81 -74.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.87 ' HB3' HG23 ' A' ' 18' ' ' VAL . 10.5 tptp -128.63 164.44 22.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.571 ' HA3' HG23 ' A' ' 17' ' ' VAL . . . 128.57 -140.82 12.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.563 1.164 . . . . 0.0 111.085 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.428 ' CD ' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.0 -165.9 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.34 -29.5 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -68.73 -80.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.555 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.2 t70 154.62 159.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.709 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.4 mm -99.87 -79.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HG3' ' CG ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER 75.06 -9.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -144.55 97.95 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 111.021 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.949 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.72 168.72 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.799 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 5.7 m-85 -120.9 154.16 36.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.805 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.5 t -167.49 -165.34 0.66 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.73 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -103.51 149.13 36.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.943 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.02 -157.95 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.82 -170.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 t -69.78 53.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.622 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 56.89 103.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.534 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -111.75 -38.97 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.927 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 24.7 m -123.0 15.0 9.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.58 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.15 -157.11 7.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.127 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.92 HG23 HD12 ' A' ' 104' ' ' ILE . 81.1 t -110.44 -0.82 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 0.802 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.622 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 15.0 p 32.51 84.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.063 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.145 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.48 140.59 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.47 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -126.93 2.02 6.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.245 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.74 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.5 t 68.95 -56.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -57.3 -9.28 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.413 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.42 -17.69 4.74 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.34 -90.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.72 -67.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.532 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -164.31 165.32 21.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.145 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.5 p90 -150.94 152.45 33.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.831 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.3 0.41 45.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.123 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 13.9 101.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.053 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.44 107.74 9.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.27 175.35 21.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.097 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.705 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -47.41 -31.23 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.739 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 84.38 -179.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.389 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.582 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.1 tp10 -135.72 -37.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.63 -142.05 6.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.073 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.91 129.38 54.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 79.26 3.93 88.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -170.91 134.09 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.798 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -137.79 -160.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.53 125.62 21.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.624 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.977 HD12 HG13 ' A' ' 86' ' ' ILE . 3.4 pt -139.25 139.79 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.637 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.4 p -137.51 166.07 24.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.642 ' CD2' ' H2 ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER -63.27 -33.74 76.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -29.53 63.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.257 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.422 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 14.8 t0 -78.36 170.14 17.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.053 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.7 118.01 14.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.92 HD12 HG23 ' A' ' 74' ' ' VAL . 6.7 pt -165.02 133.58 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.666 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -152.51 157.82 33.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.562 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 8.4 2.44 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' A' ' 109' ' ' THR . 10.6 t90 73.51 -58.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.989 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.61 ' O ' HG23 ' A' ' 109' ' ' THR . 18.5 t70 -68.16 51.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.8 p -158.32 -54.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.022 HD22 ' HB3' ' A' ' 114' ' ' GLN . 45.3 mt 6.51 -107.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.659 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 145.01 -39.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.616 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.57 -65.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 8' ' ' PRO . 2.5 m -49.21 -24.79 1.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.453 1.096 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.022 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.2 mp0 -85.65 -30.7 23.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.69 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -76.16 -40.84 51.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.443 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.11 -18.66 63.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.667 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.45 -14.03 29.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.056 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.855 HD22 ' CE2' ' A' ' 53' ' ' PHE . 57.5 mt -69.99 -30.86 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -74.09 -34.51 64.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.578 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 8.2 m170 -59.65 105.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.589 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.525 ' O ' ' CE ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -34.62 -34.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.52 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.1 OUTLIER 165.24 108.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.489 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 1.7 tt0 44.76 47.76 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.578 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -68.85 56.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 61.46 21.77 60.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.421 1.076 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.436 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -54.29 -173.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 46.04 35.54 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.55 -161.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 108.364 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.7 p -137.24 118.27 10.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.87 97.19 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.564 1.823 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.739 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.6 p -117.55 -133.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.739 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.9 OUTLIER 34.44 86.51 0.13 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.638 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.795 ' O ' HG22 ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.03 4.57 4.63 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.512 1.796 . . . . 0.0 111.0 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.576 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -141.66 -44.48 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.4 mt-30 -63.73 -6.64 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.797 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.73 -37.14 27.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.854 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 2.0 m-85 -88.03 2.42 51.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 3.1 m -111.79 -15.22 13.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.02 -40.19 8.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.603 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.95 173.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.78 15.16 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.78 HG23 ' HD3' ' A' ' 56' ' ' PRO . 10.7 p -166.47 87.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.01 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.2 120.37 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.621 HG13 HG22 ' A' ' 21' ' ' THR . 0.8 OUTLIER -145.49 124.63 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.172 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.609 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.6 tmm_? -78.63 41.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.856 ' CG2' HD12 ' A' ' 47' ' ' ILE . 1.1 t -63.55 175.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.514 ' HG2' HG22 ' A' ' 50' ' ' ILE . 16.3 ptmt -129.0 119.13 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.894 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.6 105.0 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.73 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.9 m -107.83 -36.21 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.0 t -115.51 163.25 16.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.055 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.2 mp0 -148.13 -176.54 5.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.2 ttpt -151.29 111.71 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.474 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -74.8 92.55 2.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.524 HG13 ' HG2' ' A' ' 27' ' ' LYS . 30.1 m -102.5 86.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -46.87 147.48 1.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.365 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.629 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.3 t -132.29 30.86 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.07 -173.27 10.19 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -83.97 165.25 18.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.3 t0 -95.64 -161.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.52 0.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -107.41 -1.93 21.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.31 -7.99 79.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -79.29 153.41 76.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.01 129.04 11.96 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.521 1.8 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 31' ' ' SER . 59.6 mt -70.52 -95.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.475 ' N ' HG22 ' A' ' 40' ' ' ILE . 25.4 ttmt 74.81 121.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.208 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -125.83 66.04 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.049 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -35.43 146.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.778 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.3 mm100 -88.45 -179.49 6.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.932 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -138.07 66.53 1.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.484 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.0 tt0 -63.05 69.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.01 HD11 ' O ' ' A' ' 60' ' ' ILE . 2.0 pt -66.03 -169.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.523 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -126.64 0.03 6.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 51.66 112.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.604 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -122.38 -31.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.12 163.59 37.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.71 69.55 1.26 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.058 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.2 m-85 -37.96 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.533 1.146 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.74 73.52 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.35 -164.66 11.81 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.78 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.0 Cg_endo -75.08 -168.74 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.561 1.822 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -88.73 -36.92 15.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.651 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.31 -77.86 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.651 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.7 t70 140.87 159.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.011 HD13 ' O ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -112.08 77.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.24 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.472 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -72.87 -9.63 58.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 110.346 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 4.8 m-85 -131.96 89.95 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.973 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -92.52 168.49 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.778 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 15.7 m-85 -120.85 148.67 43.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.824 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.9 t -164.95 -166.18 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.448 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.609 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -107.08 147.84 35.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.049 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -157.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.02 -170.81 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.945 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.67 52.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 58.77 98.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.511 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -104.62 -34.82 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.631 ' O ' ' HA ' ' A' ' 99' ' ' THR . 67.3 m -134.02 21.39 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.257 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.682 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -158.37 -157.79 8.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.935 HG23 HD12 ' A' ' 104' ' ' ILE . 91.3 t -113.5 1.72 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.63 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 30.07 82.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.96 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.11 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.94 134.11 46.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.61 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -119.78 -8.7 9.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.73 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.9 t 73.92 -13.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -80.08 -9.15 86.97 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.498 1.123 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.509 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -129.91 -32.02 0.57 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.543 ' HZ1' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -96.41 -100.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 0.789 . . . . 0.0 109.25 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 164.86 -57.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -167.1 166.5 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.337 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.141 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.5 p90 -151.14 152.56 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.765 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.1 3.11 36.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.141 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.83 101.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.06 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.39 108.35 10.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.03 179.15 19.61 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.73 -32.65 14.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 0.813 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.65 174.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.527 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.3 tp10 -136.45 -42.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -155.0 -135.23 2.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.065 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 1.011 ' O ' HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -113.59 -38.81 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 59' ' ' ASP . . . -106.33 14.39 43.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.796 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -172.46 132.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' MET . . . . . 1.001 ' CG ' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -134.44 -170.74 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -122.26 130.25 53.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.973 HD13 HG21 ' A' ' 63' ' ' ILE . 6.3 pt -142.74 131.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.677 ' O ' HD11 ' A' ' 104' ' ' ILE . 7.0 p -131.43 163.82 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.509 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -62.97 -28.29 69.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -28.95 49.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.439 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 24.2 t0 -80.71 170.2 16.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.06 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.35 117.79 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.935 HD12 HG23 ' A' ' 74' ' ' VAL . 6.5 pt -165.65 134.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.696 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.57 157.69 32.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.597 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.95 7.48 2.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.59 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 7.2 t90 75.49 -60.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 107.96 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.645 ' O ' HG23 ' A' ' 109' ' ' THR . 38.2 t0 -69.33 52.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.153 . . . . 0.0 109.219 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.2 p -159.08 -56.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.942 HD22 ' HB3' ' A' ' 114' ' ' GLN . 54.9 mt 10.98 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 147.23 -41.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.939 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.5 -64.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.795 HG22 ' O ' ' A' ' 8' ' ' PRO . 4.3 m -49.62 -27.33 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.942 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.7 mp0 -82.8 -33.17 27.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.599 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -73.29 -41.95 63.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.576 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -61.81 -19.83 62.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.636 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.37 -11.35 35.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.058 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 47.7 mt -72.77 -29.34 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -96.98 10.23 39.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.624 ' CD2' ' HB3' ' A' ' 126' ' ' CYS . 0.1 OUTLIER -86.58 7.03 27.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.584 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 65.92 -66.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.836 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 1.1 p90 -176.84 94.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.468 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 2.4 tt0 53.47 56.85 6.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.595 ' HB2' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.81 54.41 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 55.83 29.5 55.0 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.624 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 0.7 OUTLIER -61.98 -171.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 110.233 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.579 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 2.6 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.428 ' OG ' ' C ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 72.62 2.64 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.055 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.507 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -58.29 157.4 8.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 108.276 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.8 p -103.2 107.31 55.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.061 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 125.85 9.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.782 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.776 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -152.34 -133.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.776 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.5 p80 40.94 86.22 0.14 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.557 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.591 ' O ' HG22 ' A' ' 113' ' ' THR . 18.5 Cg_endo -74.99 0.31 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.512 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.4 OUTLIER -136.04 -43.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.466 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -62.49 -7.37 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.371 1.044 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.811 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.39 -34.98 25.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.228 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.865 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -90.54 5.04 49.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.519 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 3.5 m -114.35 -8.77 12.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.337 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.11 -39.58 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.583 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.08 172.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.98 16.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.691 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 12.5 p -165.77 83.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.033 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -97.15 118.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.703 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -143.78 124.86 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.665 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.7 mtm180 -76.97 38.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.911 HG21 HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.05 173.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HG2' HG22 ' A' ' 50' ' ' ILE . 15.1 ptmt -126.51 119.94 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.847 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.77 97.95 10.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.589 ' CG1' HG11 ' A' ' 78' ' ' VAL . 5.4 m -101.23 -36.14 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.509 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.0 t -112.39 162.29 15.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.3 mp0 -149.6 -179.33 7.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.624 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.0 ttpt -146.53 111.56 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.736 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.3 tt0 -74.08 92.11 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.485 HG13 ' HG2' ' A' ' 27' ' ' LYS . 33.6 m -107.13 118.0 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 1.4 m-20 -67.32 153.31 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.559 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.8 t -135.62 24.93 3.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.44 179.76 35.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.4 m120 -84.34 164.11 19.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.6 t70 -95.09 -161.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.784 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.75 0.88 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -108.73 -1.57 19.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.46 -8.39 79.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.524 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.5 p-10 -78.24 152.31 78.94 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.01 129.66 12.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.559 HD12 ' O ' ' A' ' 31' ' ' SER . 62.5 mt -67.12 -87.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.373 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 20.2 ttmm 75.24 128.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -132.21 65.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.998 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -36.23 144.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.782 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.7 mm100 -87.57 178.87 6.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.972 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.73 67.02 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.509 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.6 tt0 -62.23 70.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.911 HD12 HG21 ' A' ' 21' ' ' THR . 3.1 pt -67.34 -175.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.429 1.081 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.6 ttpt -122.0 -1.75 9.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.469 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.34 119.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.577 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -127.74 -31.74 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.481 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.81 167.82 25.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.363 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.598 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.7 68.19 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.062 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.1 m-85 -37.98 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.639 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -128.36 66.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.83 -158.77 10.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.487 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.02 -177.76 3.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.482 1.78 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.52 -34.44 25.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.3 -78.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.9 t70 152.31 171.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.69 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.6 mm -97.95 -71.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.592 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.95 -8.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.225 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.6 m-85 -146.48 99.2 3.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.082 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -107.54 168.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.782 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.0 m-85 -123.39 149.49 44.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.82 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.2 t -164.63 -166.26 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.36 150.43 38.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.998 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.97 -159.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.4 OUTLIER 57.87 -168.59 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.032 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -69.6 53.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.519 ' HB2' ' C ' ' A' ' 74' ' ' VAL . . . 53.31 99.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.574 ' CG2' ' N ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -103.05 -55.84 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.735 ' O ' HG22 ' A' ' 99' ' ' THR . 79.8 m -104.19 11.09 35.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.271 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.57 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.84 -150.55 5.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.604 1.19 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.855 HG23 ' CD1' ' A' ' 104' ' ' ILE . 75.8 t -120.45 0.51 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.517 ' C ' ' O ' ' A' ' 74' ' ' VAL . 6.3 p 28.88 82.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.12 . . . . 0.0 109.939 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.986 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.57 132.33 49.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 80' ' ' GLY . 2.7 p30 -108.86 -8.95 15.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 82' ' ' LYS . 3.0 t 70.27 -52.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -48.44 -13.86 0.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -119.12 -29.66 1.75 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.525 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.23 -92.98 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.817 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.58 -86.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 8.0 mp0 -150.04 147.0 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.242 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.165 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.8 p90 -124.37 154.97 39.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.597 1.185 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.745 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.76 2.94 39.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.165 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.69 102.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.04 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.05 109.24 11.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.576 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.27 175.25 24.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -42.27 -37.82 1.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 0.746 . . . . 0.0 109.25 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.691 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 84.05 174.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.529 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.5 tp10 -134.99 9.02 3.52 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 125.1 -122.06 4.52 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.567 1.167 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 2.6 m-20 -130.15 144.75 51.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.58 -2.73 62.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.69 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.36 144.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.703 ' HE3' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -147.91 -169.57 3.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.37 128.28 44.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.082 HD13 HG21 ' A' ' 63' ' ' ILE . 2.2 pt -139.8 144.22 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -143.91 167.48 22.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.692 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -61.8 -49.34 76.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.651 ' H ' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -61.83 -18.44 60.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.38 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.428 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.0 t0 -89.63 166.6 13.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.04 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -70.28 115.83 9.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.855 ' CD1' HG23 ' A' ' 74' ' ' VAL . 7.2 pt -164.78 130.0 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.682 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -151.04 157.28 35.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.585 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.05 10.9 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.525 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 13.2 t90 71.05 -59.31 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 108.065 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 109' ' ' THR . 32.0 t0 -68.85 51.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.692 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.6 p -159.07 -54.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.002 HD22 ' HB3' ' A' ' 114' ' ' GLN . 38.9 mt 6.74 -107.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 147.06 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.5 -64.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 8' ' ' PRO . 1.6 m -49.45 -23.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.002 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.7 mp0 -86.37 -36.1 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.246 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.644 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.3 mtmt -70.41 -42.06 72.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.7 ' NZ ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -62.11 -18.87 62.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.64 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.81 -13.14 27.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.062 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 40.6 mt -69.32 -30.03 67.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -95.57 11.2 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.7 ' CD2' ' NZ ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -96.83 13.69 27.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.572 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.479 ' CA ' ' HD3' ' A' ' 54' ' ' LYS . 8.0 mmm180 54.85 -87.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.569 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 2.1 t80 -148.47 92.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.519 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 1.8 tt0 58.69 53.77 5.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.547 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.38 55.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 58.97 27.79 62.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.6 OUTLIER -62.17 -167.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.409 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 4.2 tp10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.413 ' C ' ' N ' ' A' ' 3' ' ' CYS . 54.8 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 52.55 17.21 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 0.0 OUTLIER -74.74 161.82 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.3 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.477 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 60.0 p -83.79 113.12 45.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.3 Cg_endo -74.99 96.3 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.441 1.759 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.722 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.0 p -119.04 -132.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.722 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.57 85.68 0.15 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.642 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -16.99 19.77 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.544 1.813 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.653 HE22 ' HD3' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -121.44 -41.69 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.0 mt-30 -64.14 -6.03 5.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.192 . . . . 0.0 110.328 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.47 -38.28 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.899 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -87.93 -0.75 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 8.1 m -107.31 -13.87 15.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -99.0 -40.61 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.556 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.78 171.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.32 14.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.922 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 2.7 p -164.59 87.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.055 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -99.07 118.89 46.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.589 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -145.76 125.8 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.404 1.065 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.701 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.2 ttp180 -76.67 41.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.782 HG21 HD12 ' A' ' 47' ' ' ILE . 2.1 t -62.39 169.98 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.533 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.0 ptmt -125.32 119.81 29.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.857 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.14 103.13 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.944 HG12 HG11 ' A' ' 78' ' ' VAL . 3.4 m -106.12 -38.68 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -113.44 160.91 17.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.923 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.4 mp0 -144.79 -176.52 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.341 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.5 ttpt -152.85 114.41 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.462 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.6 tt0 -74.15 91.65 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.568 HG13 ' HG2' ' A' ' 27' ' ' LYS . 5.6 m -97.64 94.09 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.516 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -44.85 144.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.669 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -132.56 18.9 4.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.014 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.03 -175.03 28.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.3 m-80 -84.63 166.57 16.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.9 t0 -96.16 -162.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.791 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.71 0.86 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.84 -0.46 19.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.58 -7.9 79.32 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.524 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.4 p-10 -78.7 153.51 78.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.05 129.25 12.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.55 1.816 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.669 HG21 ' OG ' ' A' ' 31' ' ' SER . 46.0 mt -70.27 -83.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.551 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.05 123.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.459 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -129.18 66.95 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.0 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -39.21 147.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.802 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.0 mm100 -90.06 179.13 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.918 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -135.62 70.57 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.505 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 7.7 tt0 -64.79 67.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.857 HG22 ' CA ' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -63.25 -166.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.631 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -133.98 8.72 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.631 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER 47.57 117.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.562 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -123.72 -31.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -150.65 168.75 23.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.621 ' HE2' ' H ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -146.87 65.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.388 1.055 . . . . 0.0 110.968 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.633 ' CE2' HD21 ' A' ' 118' ' ' LEU . 24.7 m-85 -42.59 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.608 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -124.8 70.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.621 ' H ' ' HE2' ' A' ' 52' ' ' MET . . . -124.75 -154.25 8.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.09 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.02 -170.01 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.445 1.761 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.04 -35.5 15.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -86.2 -78.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.498 ' CG ' ' N ' ' A' ' 60' ' ' ILE . 4.0 t70 156.64 171.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.616 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.2 mm -98.22 -72.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.595 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 74.53 -9.58 1.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -146.87 97.17 2.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.03 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -105.69 167.1 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.802 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 5.4 m-85 -121.22 149.99 42.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.827 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.0 t -165.67 -161.82 0.53 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.358 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.576 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -107.8 152.64 41.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.0 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.93 -161.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.679 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 22.6 t -81.75 32.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 84.54 95.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.614 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -104.67 -35.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.672 ' O ' HG22 ' A' ' 99' ' ' THR . 17.8 m -127.27 9.67 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.652 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -149.73 -152.12 5.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.907 HG23 HD12 ' A' ' 104' ' ' ILE . 87.8 t -115.36 -0.25 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.644 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 32.47 84.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.056 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.165 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.45 137.12 42.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.476 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 1.1 p30 -124.21 0.08 8.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.42 1.075 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.053 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.4 t 70.58 -57.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.16 -12.86 0.89 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.561 1.163 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.475 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.73 -29.27 2.08 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.574 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -112.3 -94.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.053 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.71 -83.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.4 mp0 -146.75 159.28 43.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.165 ' CE2' HD13 ' A' ' 76' ' ' LEU . 3.1 p90 -145.07 151.33 38.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.796 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -81.39 4.43 20.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.131 HD13 ' CD1' ' A' ' 84' ' ' TYR . 0.6 OUTLIER 9.99 101.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.055 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -129.74 103.9 7.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -158.63 161.76 32.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -34.43 97.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.922 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -62.6 176.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.505 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 16.7 tp10 -126.78 8.54 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.5 -115.76 1.99 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -137.66 140.24 40.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 80.1 -0.59 83.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.06 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.616 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.01 145.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.694 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -149.97 -168.04 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -129.0 129.57 45.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.03 HD13 HG21 ' A' ' 63' ' ' ILE . 3.4 pt -140.74 149.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.3 OUTLIER -147.87 164.92 32.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.433 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -60.31 -48.41 81.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.53 ' H ' HD23 ' A' ' 100' ' ' LEU . 4.3 t -61.45 -24.56 66.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 108.253 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.417 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.4 t0 -82.18 167.85 18.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.031 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.14 117.09 12.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.907 HD12 HG23 ' A' ' 74' ' ' VAL . 6.2 pt -165.03 132.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.625 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.89 157.87 32.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.573 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 5.72 3.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.426 1.751 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.701 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 5.6 t90 76.99 -58.14 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 109' ' ' THR . 8.7 t0 -69.84 51.12 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.7 p -159.01 -55.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.349 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.99 HD22 ' HB3' ' A' ' 114' ' ' GLN . 48.7 mt 10.71 -107.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.79 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.595 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.12 -65.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.49 ' N ' HG22 ' A' ' 112' ' ' THR . 30.5 m -49.84 -28.89 7.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.99 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.6 mp0 -81.26 -31.14 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.576 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -73.7 -43.22 59.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.653 ' HD3' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.33 -22.47 66.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.673 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -90.65 -19.65 23.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.633 HD21 ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -66.83 -29.54 69.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.381 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 120' ' ' HIS . 27.5 p30 -79.84 -22.32 43.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.369 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.611 ' CE1' ' HZ3' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -67.29 108.49 2.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 109.646 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.468 ' O ' ' CB ' ' A' ' 122' ' ' TYR . 0.0 OUTLIER -35.02 -37.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.584 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.0 OUTLIER 164.62 106.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.465 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 2.2 tt0 44.07 56.39 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.581 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -68.98 55.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 55.03 27.06 44.04 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.434 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -59.94 -166.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.421 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 39.4 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.235 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.762 ' O ' HD21 ' A' ' 100' ' ' LEU . 7.1 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.11 47.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 5.1 t -97.52 162.34 13.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.137 . . . . 0.0 108.337 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.453 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 77.9 p -97.98 110.19 54.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.04 11.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.767 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.8 p -155.54 -133.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.767 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.4 p80 40.4 87.84 0.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.524 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.93 -2.94 13.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.568 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.9 OUTLIER -133.65 -44.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -60.42 -8.55 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.809 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.53 -34.07 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.863 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -89.68 7.59 35.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 123' ' ' GLN . 1.3 m -116.69 -13.06 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.317 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.91 -34.34 10.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.375 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.638 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -59.52 172.42 0.68 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 88' ' ' GLY . 15.3 m-20 -151.72 14.85 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.791 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 5.5 p -166.53 85.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.932 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.58 118.19 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.607 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -142.26 126.53 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.695 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.5 mtm180 -78.39 38.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.976 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.71 165.99 4.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 14.6 ptmt -120.23 121.65 39.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.831 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.75 101.17 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.728 ' CG1' HG11 ' A' ' 78' ' ' VAL . 6.7 m -104.79 -36.08 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.527 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -113.65 160.56 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -148.52 -176.33 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.1 ttpt -153.74 113.95 3.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.555 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 0.4 OUTLIER -75.12 96.11 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.338 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.561 HG13 ' HG2' ' A' ' 27' ' ' LYS . 9.6 m -103.26 80.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -44.55 140.19 2.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.552 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.9 t -126.09 32.33 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 58.28 -170.91 4.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.57 1.169 . . . . 0.0 110.955 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.513 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.9 m120 -84.31 165.49 18.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.62 -162.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.766 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.7 1.24 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -108.6 -1.12 19.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.05 -8.42 78.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.513 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.7 p-10 -78.15 152.69 79.46 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.5 Cg_endo -74.96 129.86 12.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.445 1.761 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 31' ' ' SER . 37.9 mt -74.71 -94.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.499 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 14.7 ttmt 72.13 120.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.252 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.458 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 1.2 ptt180 -124.53 67.47 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.555 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 1.3 mp -38.89 148.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.81 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.1 mm100 -89.69 177.6 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.959 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.26 68.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.527 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.0 tt0 -63.4 68.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.976 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.9 pt -66.87 -174.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.588 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -121.94 9.31 9.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.588 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.9 mm100 37.94 102.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.502 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -111.46 -34.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.489 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -143.7 161.59 38.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.346 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.479 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -143.07 71.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 111.04 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.964 ' CE2' HD22 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -37.64 -78.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.922 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -128.82 70.42 1.39 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.42 -164.8 13.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.721 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.97 -174.81 2.07 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.565 1.824 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.48 -33.17 15.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.623 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -72.35 -78.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.623 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.9 t70 146.57 165.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.646 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -107.89 -79.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 74.27 -10.2 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.7 m-85 -140.95 93.77 2.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.038 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -101.21 168.21 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.81 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.7 m-85 -123.34 151.65 42.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.921 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 10.0 t -166.97 -164.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.08 . . . . 0.0 110.465 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.591 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -110.77 149.28 40.13 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.499 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.06 -159.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER 58.68 -171.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.03 -179.939 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -68.8 54.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.719 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 54.62 95.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.603 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -101.81 -37.53 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.795 ' O ' HG22 ' A' ' 99' ' ' THR . 10.6 m -127.42 16.13 7.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 108.274 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.719 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -156.77 -151.29 5.93 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.985 HG23 HD12 ' A' ' 104' ' ' ILE . 88.6 t -118.95 4.32 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 74' ' ' VAL . 69.3 p 29.32 81.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.109 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.33 130.68 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.628 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -116.94 -10.22 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.728 HG11 ' CG1' ' A' ' 24' ' ' VAL . 3.5 t 75.0 -12.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -79.65 -9.81 86.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.501 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -131.0 -26.6 0.75 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.532 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -100.88 -99.6 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.741 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.547 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 163.92 -57.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.547 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -168.21 168.97 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.156 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -151.77 152.83 33.22 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.812 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.37 2.68 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.156 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.94 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.01 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.17 110.57 13.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.227 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.464 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.1 -178.82 19.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.694 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.43 -33.66 31.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.791 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 83.48 174.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.516 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.9 tp10 -133.25 4.92 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.81 -121.46 3.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.87 140.92 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 81.04 -2.58 80.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.646 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.96 144.25 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.571 0.807 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.705 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.18 -169.49 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 130.94 51.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.636 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.038 HD13 HG21 ' A' ' 63' ' ' ILE . 6.5 pt -142.7 139.85 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.795 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -141.58 162.75 34.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.387 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.762 HD21 ' O ' ' A' ' 1' ' ' CYS . 0.7 OUTLIER -57.04 -46.88 82.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 4.9 t -61.29 -30.07 70.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 108.291 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.407 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.7 t0 -79.1 167.08 21.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.01 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.29 115.88 9.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 111.028 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.985 HD12 HG23 ' A' ' 74' ' ' VAL . 7.1 pt -164.56 130.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.655 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.34 157.45 39.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.595 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.95 10.74 1.61 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.521 1.801 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.506 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 13.3 t90 71.62 -60.65 0.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 107.935 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.665 ' O ' HG23 ' A' ' 109' ' ' THR . 15.4 t0 -68.41 52.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.686 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.2 p -159.23 -54.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.421 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.037 HD22 ' HB3' ' A' ' 114' ' ' GLN . 60.3 mt 8.48 -107.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 146.1 -41.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.592 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.18 -66.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.524 ' N ' HG22 ' A' ' 112' ' ' THR . 1.2 m -47.78 -25.37 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.037 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.0 mp0 -84.4 -34.67 23.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.998 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -70.24 -41.82 73.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.909 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.568 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.18 -19.39 64.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.595 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -93.9 -4.86 49.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.998 HD12 ' HA ' ' A' ' 115' ' ' LYS . 25.9 mt -86.02 -24.19 26.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -100.57 -6.37 25.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.612 ' CD2' ' HB2' ' A' ' 124' ' ' MET . 0.0 OUTLIER -96.84 37.18 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.61 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.45 ' CD ' ' HE2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 68.11 -93.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.549 1.156 . . . . 0.0 110.319 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.509 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 35.0 p90 -173.28 13.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.509 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 1.9 tm0? 175.67 50.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.612 ' HB2' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.08 54.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 50.72 23.11 6.42 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.594 1.183 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.6 OUTLIER -65.57 -166.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.436 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 2.5 tp10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.868 ' H1 ' ' HA ' ' A' ' 72' ' ' CYS . 55.9 m . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 55.18 13.37 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.942 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.533 ' H ' HD21 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -64.71 166.32 9.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.251 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.5 p -100.5 107.12 46.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -74.96 118.06 5.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.716 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.3 p -143.63 -133.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.716 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.3 97.73 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.573 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.477 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.03 -30.97 6.55 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.902 HE21 ' HB2' ' A' ' 126' ' ' CYS . 2.8 tp60 -115.49 -34.16 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.482 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.3 OUTLIER -61.61 -12.1 14.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.812 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.45 -35.19 25.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.88 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -90.69 4.31 51.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 4.8 m -113.1 -11.6 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -101.65 -40.46 6.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.605 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.79 171.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -151.99 16.42 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.58 1.175 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.824 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 5.3 p -166.0 83.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.978 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -96.74 117.6 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.593 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -141.81 126.94 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.645 ' NH1' ' CZ2' ' A' ' 107' ' ' TRP . 7.4 mtm180 -79.55 40.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.942 HG21 HD12 ' A' ' 47' ' ' ILE . 2.4 t -60.36 175.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HG2' HG22 ' A' ' 50' ' ' ILE . 15.0 ptmt -128.53 119.74 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.798 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.53 108.26 20.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.798 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.4 m -111.7 -37.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 4.0 t -112.28 164.58 13.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.1 mp0 -147.96 -172.49 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.66 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.7 ttpt -153.24 118.79 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' C ' ' HZ2' ' A' ' 41' ' ' LYS . 5.2 tt0 -79.77 93.0 5.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.602 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 35.5 m -106.88 91.43 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.04 136.01 19.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.579 1.174 . . . . 0.0 109.237 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' HD12 ' A' ' 40' ' ' ILE . 4.7 t -116.9 36.47 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 48.17 -169.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.564 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.1 m-20 -84.86 164.77 18.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 0.739 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 2.6 t70 -97.21 -160.85 0.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -79.86 1.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -105.76 -3.04 22.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.05 -6.17 83.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.564 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 15.5 p-10 -85.47 154.41 59.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.535 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.97 129.65 12.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.777 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 31' ' ' SER . 95.2 mt -71.69 -81.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 1.022 ' HZ3' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER 72.06 120.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.541 ' N ' ' HE2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -137.24 80.48 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 110.294 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.022 HD12 ' HZ3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -53.02 153.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.944 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.735 ' NE2' ' CE2' ' A' ' 64' ' ' TYR . 5.6 mm100 -89.54 178.94 6.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 110.23 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 1.115 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.74 67.42 1.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.7 tt0 -62.65 71.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.942 HD12 HG21 ' A' ' 21' ' ' THR . 2.8 pt -67.58 -175.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.6 OUTLIER -123.07 -1.07 8.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.514 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.2 125.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.578 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -133.87 -32.8 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.68 167.41 26.51 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.447 1.092 . . . . 0.0 109.197 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -146.61 68.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.102 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -37.8 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.658 ' HB3' HG23 ' A' ' 18' ' ' VAL . 9.6 tptp -127.27 65.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.2 -159.21 10.79 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.06 178.65 6.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.612 1.849 . . . . 0.0 111.034 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.87 -33.87 34.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.52 -80.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.8 t70 153.43 171.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.631 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.5 mm -98.89 -72.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.562 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 73.7 -7.97 1.48 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -146.75 96.36 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.057 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.32 169.91 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.735 ' CE2' ' NE2' ' A' ' 44' ' ' GLN . 7.6 m-85 -122.55 157.96 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.055 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' THR . . . . . 1.115 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.0 t -175.12 -160.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.682 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -109.13 147.95 36.97 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.946 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.95 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.35 -168.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.952 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.9 p -70.6 51.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.584 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 58.12 107.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.544 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -113.91 -38.52 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.868 ' HA ' ' H1 ' ' A' ' 1' ' ' CYS . 11.2 m -124.14 12.84 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.554 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.74 -151.38 5.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.916 HG23 HD12 ' A' ' 104' ' ' ILE . 92.4 t -115.34 -0.42 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.584 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 18.6 p 34.61 88.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.005 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -110.48 134.93 51.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.495 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -125.4 1.84 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.054 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.6 t 71.16 -57.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.13 -8.76 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -119.88 -19.45 4.04 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.498 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -126.56 -94.03 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 0.781 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.054 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.07 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.2 mp0 -145.78 146.66 31.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.152 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -128.29 154.6 45.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.765 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.7 2.6 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.152 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.77 102.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.94 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.065 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.84 110.61 13.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.602 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.44 -179.37 19.25 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.516 1.135 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.9 tttm -56.43 -22.85 34.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 0.733 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.824 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 76.36 177.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.539 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.7 tp10 -135.61 -42.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.593 ' O ' ' C ' ' A' ' 93' ' ' ASP . . . 165.78 126.12 0.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.593 ' C ' ' O ' ' A' ' 92' ' ' GLY . 1.4 m-20 -24.49 133.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.75 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 87.05 -6.09 83.96 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.558 1.161 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.631 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -174.19 143.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 0.801 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.692 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.85 -170.08 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 129.59 45.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.533 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.057 HD13 HG21 ' A' ' 63' ' ' ILE . 4.4 pt -140.71 141.83 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.583 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.8 OUTLIER -139.86 163.41 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.461 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.684 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -57.78 -43.34 85.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.615 1.197 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -64.47 -33.11 75.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 108.301 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.458 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 6.2 t0 -74.52 166.96 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.065 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.48 117.81 12.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.916 HD12 HG23 ' A' ' 74' ' ' VAL . 6.4 pt -164.88 134.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.632 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.09 156.98 31.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.588 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -74.96 11.1 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.047 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.645 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 11.8 t90 71.13 -59.77 0.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 108.048 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.662 ' O ' HG23 ' A' ' 109' ' ' THR . 25.6 t0 -68.64 51.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.693 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.1 p -159.09 -52.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.045 HD22 ' HB3' ' A' ' 114' ' ' GLN . 43.1 mt 6.93 -106.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.65 -41.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.617 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.25 -60.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.607 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 44.8 m -53.13 -23.58 8.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.045 ' HB3' HD22 ' A' ' 110' ' ' LEU . 2.8 mp0 -86.35 -36.57 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.631 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.2 mtmt -69.07 -40.04 78.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.223 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.607 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 1.1 pttt -63.14 -17.35 62.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.639 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.92 -14.26 24.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.102 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 48.0 mt -69.71 -29.7 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -92.14 -3.19 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 124' ' ' MET . 0.6 OUTLIER -82.85 10.38 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.587 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 15.1 mmt180 57.37 -81.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.886 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.1 OUTLIER -154.34 97.04 1.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.439 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 2.0 tt0 51.06 61.2 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.515 ' HB2' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -68.67 57.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 -179.929 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.54 26.91 32.59 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.902 ' HB2' HE21 ' A' ' 9' ' ' GLN . 0.7 OUTLIER -58.71 -169.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.981 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.48 38.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.624 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.2 t -55.11 162.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 108.299 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.47 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 87.3 p -99.68 116.44 64.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.481 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.98 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.744 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.0 p -133.31 -133.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.744 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.6 p80 39.26 84.31 0.18 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.569 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 1.83 7.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.591 1.837 . . . . 0.0 110.946 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.552 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -136.05 -43.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.46 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -63.91 -7.63 8.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.279 -179.942 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.781 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.4 -34.75 28.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.89 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -90.45 4.88 49.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.6 m -113.71 -12.33 12.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 108.345 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.79 -38.94 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.56 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.52 169.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.84 13.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.842 HG21 ' SD ' ' A' ' 96' ' ' MET . 13.6 p -166.04 91.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.006 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -101.03 117.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.564 HG13 HG22 ' A' ' 21' ' ' THR . 0.7 OUTLIER -143.24 126.28 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.671 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.4 ttp180 -78.76 39.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.885 ' CG2' HD12 ' A' ' 47' ' ' ILE . 1.3 t -61.21 175.16 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.552 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.7 ptmt -129.16 118.86 23.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.899 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.05 104.65 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.693 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.8 m -107.54 -34.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.239 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -117.49 167.22 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.954 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -150.78 -179.72 7.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.639 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.6 ttpt -146.63 111.07 5.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.455 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 10.5 tt0 -73.77 90.02 1.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.165 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.532 HG23 ' HG3' ' A' ' 42' ' ' ARG . 33.7 m -103.6 124.81 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.82 161.46 23.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.452 ' HB3' HG22 ' A' ' 40' ' ' ILE . 9.8 t -147.92 18.29 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 79.17 176.28 48.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.539 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 6.5 m-20 -84.61 162.6 19.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.8 t70 -93.56 -162.55 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.765 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.0 0.99 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -108.08 -1.07 20.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.38 -8.16 78.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.539 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.4 p-10 -79.3 153.64 76.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.92 130.58 13.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 31' ' ' SER . 26.4 mt -64.12 -80.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.633 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.8 tppt? 72.27 125.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.532 ' HG3' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -129.81 64.13 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.994 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -35.55 141.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.639 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.5 mm100 -85.22 -179.51 7.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.942 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.35 67.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.9 tt0 -62.53 70.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.899 HG22 ' CA ' ' A' ' 23' ' ' ALA . 2.5 pt -67.12 -168.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -128.81 0.92 5.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.513 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 55.12 121.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.646 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -128.74 -30.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.418 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 1.5 tttt -150.59 166.59 29.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.461 ' HG3' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.44 60.91 1.22 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.459 1.1 . . . . 0.0 111.063 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.531 ' CE2' HD21 ' A' ' 118' ' ' LEU . 20.7 m-85 -37.39 -82.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.635 ' HB3' HG23 ' A' ' 18' ' ' VAL . 14.7 tptt -120.71 68.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -125.61 -159.13 10.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.686 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.03 -173.7 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.36 -33.95 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.22 -80.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.3 t70 152.78 169.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.609 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.4 mm -103.33 -73.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 74.51 -8.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.607 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -148.74 94.03 2.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.384 1.053 . . . . 0.0 110.952 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.055 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -99.78 170.2 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.597 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -121.38 148.63 44.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.072 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.807 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.2 t -163.41 -164.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.58 ' HB1' HG22 ' A' ' 71' ' ' VAL . . . -105.72 150.93 39.7 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.994 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.94 -158.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.48 -159.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.939 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.751 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 61.2 p -81.74 24.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 91.9 95.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.58 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -101.32 -38.03 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.808 ' O ' HG22 ' A' ' 99' ' ' THR . 0.1 OUTLIER -131.49 23.98 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 108.324 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.557 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -157.92 -157.24 8.33 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.904 HG23 HD12 ' A' ' 104' ' ' ILE . 88.0 t -116.35 0.46 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 0.8 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 74' ' ' VAL . 53.2 p 32.3 81.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 109.959 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.087 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.19 132.31 48.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.552 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -118.76 -7.24 10.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 23' ' ' ALA . 4.1 t 71.38 -9.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -84.4 -6.55 85.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.512 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -134.18 -31.17 0.38 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.565 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -95.45 -100.89 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.486 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 165.98 -64.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.554 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -161.37 163.98 30.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.138 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.5 p90 -149.96 151.09 32.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.812 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -82.43 2.76 31.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.138 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.97 98.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.04 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -124.83 106.28 9.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.444 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -139.36 176.12 21.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.674 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.64 -29.74 7.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 81.69 179.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.637 ' OE1' ' CD2' ' A' ' 97' ' ' HIS . 5.3 tp10 -132.89 -37.59 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.0 -133.89 2.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -113.05 133.79 54.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.94 -9.4 60.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.607 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -164.92 143.97 6.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.842 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -140.97 -160.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.079 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.637 ' CD2' ' OE1' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -136.82 125.91 24.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.055 HD13 HG21 ' A' ' 63' ' ' ILE . 2.1 pt -140.28 146.89 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -147.25 165.11 31.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.084 . . . . 0.0 110.38 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -59.26 -49.13 79.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.466 ' H ' HD23 ' A' ' 100' ' ' LEU . 3.3 t -60.33 -23.93 64.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 108.257 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.468 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.6 t0 -84.41 168.75 15.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.04 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -71.99 114.05 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.904 HD12 HG23 ' A' ' 74' ' ' VAL . 7.5 pt -163.15 132.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.595 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -152.75 157.72 33.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.372 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.583 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.6 Cg_endo -74.9 7.11 2.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.812 ' HD1' HD12 ' A' ' 85' ' ' LEU . 1.7 t90 74.91 -57.99 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.607 ' O ' HG23 ' A' ' 109' ' ' THR . 8.7 t70 -69.37 51.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.893 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.2 p -158.71 -56.82 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.404 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.014 HD22 ' HB3' ' A' ' 114' ' ' GLN . 52.9 mt 12.29 -106.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.665 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 144.61 -41.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.605 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.41 -63.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.337 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 23.4 m -51.53 -25.96 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.014 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.9 mp0 -83.51 -33.27 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.641 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -72.8 -42.64 63.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.552 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.08 -21.21 66.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.4 -13.83 27.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.968 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.531 HD21 ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -73.42 -26.36 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.28 11.7 38.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.549 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 0.0 OUTLIER -95.15 20.35 9.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 0.0 109.62 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER 56.18 -85.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.794 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 1.0 OUTLIER -156.34 93.78 1.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.92 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.447 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 1.6 tt0 57.06 57.57 4.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.549 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -73.09 53.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.9 33.44 78.59 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.522 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.7 OUTLIER -75.32 -160.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.522 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 29.6 tt0 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.579 ' SG ' HG23 ' A' ' 71' ' ' VAL . 24.3 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER 161.07 58.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.613 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -86.68 168.84 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.282 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.0 p -106.27 124.16 36.68 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.955 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.439 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.97 96.31 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.735 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.1 p -120.85 -132.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.735 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.0 OUTLIER 37.86 84.2 0.19 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 3.36 5.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.553 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -139.39 -44.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 110.244 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.6 mt-30 -64.12 -6.18 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.801 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.2 -37.45 23.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.918 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -87.84 -0.66 57.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.455 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 11.8 m -108.42 -12.34 15.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.296 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -100.13 -39.04 8.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.347 179.933 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.601 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.44 175.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -157.76 18.74 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.785 HG23 ' HD3' ' A' ' 56' ' ' PRO . 12.1 p -167.36 78.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.93 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -92.82 120.11 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.651 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.08 124.21 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.5 tmm_? -77.46 41.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.899 ' CG2' HD12 ' A' ' 47' ' ' ILE . 1.4 t -63.54 173.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.419 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.515 ' HE2' ' CG1' ' A' ' 24' ' ' VAL . 17.3 ptmt -126.29 117.54 23.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.912 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.77 97.62 10.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.566 ' CG1' HG11 ' A' ' 78' ' ' VAL . 16.2 m -102.91 -36.64 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.479 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 11.1 t -112.35 157.56 20.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -142.33 -173.66 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.39 1.056 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.4 ttpt -154.87 123.87 6.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 17.5 tt0 -81.18 97.73 7.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.523 HG13 ' HG2' ' A' ' 27' ' ' LYS . 6.5 m -106.15 104.47 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.495 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -53.42 149.55 7.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.669 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -137.83 20.53 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.999 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.6 -177.16 22.73 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.5 m120 -83.86 165.89 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -95.53 -161.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.779 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.16 0.68 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -108.61 -1.12 19.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.33 -8.67 78.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.529 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.22 153.9 79.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.07 129.08 11.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.669 HG21 ' OG ' ' A' ' 31' ' ' SER . 45.5 mt -68.89 -82.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.23 122.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 1.1 ptt180 -130.45 69.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.819 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -39.61 156.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.804 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.4 mm100 -96.21 -177.69 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.868 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.91 67.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 11.0 tt0 -62.9 68.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.912 HG22 ' CA ' ' A' ' 23' ' ' ALA . 2.4 pt -67.75 -170.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.521 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -125.52 0.97 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.521 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.8 mm100 47.94 106.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 110.258 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.552 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -115.31 -34.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -141.43 158.69 43.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.471 ' CG ' HG22 ' A' ' 19' ' ' ILE . 26.5 ttm -141.26 70.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.062 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.72 ' CE1' HD22 ' A' ' 118' ' ' LEU . 22.6 m-85 -42.27 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 111.054 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.06 77.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.23 -161.8 11.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.785 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.01 -170.49 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -94.39 -33.98 12.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.377 1.048 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -75.76 -82.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.611 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.0 t70 154.71 166.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.592 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -106.06 -79.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.493 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 72.37 -7.28 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -144.68 93.97 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.009 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -101.33 169.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.804 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 11.3 m-85 -121.39 154.31 36.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.825 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.0 t -175.14 -168.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.406 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -87.95 154.32 52.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.819 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.13 -62.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.549 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -39.69 167.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.031 179.943 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.747 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 20.5 t -35.11 -36.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 156.99 94.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.604 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -102.32 -35.66 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.791 ' O ' HG22 ' A' ' 99' ' ' THR . 29.4 m -131.36 20.2 4.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.588 1.18 . . . . 0.0 108.348 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.74 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -161.06 -154.25 7.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.443 1.09 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.859 HG23 ' CD1' ' A' ' 104' ' ' ILE . 90.6 t -118.78 -7.25 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.58 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 34.37 84.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.967 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.1 131.69 51.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.559 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 3.1 p30 -104.69 -12.23 16.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 82' ' ' LYS . 3.6 t 72.54 -43.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -55.76 -10.12 3.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -124.74 -25.36 1.57 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.486 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -105.83 -92.84 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.797 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.737 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.13 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.936 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.565 ' O ' ' O ' ' A' ' 106' ' ' PRO . 11.7 mp0 -151.16 149.63 29.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.155 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -127.5 154.78 44.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.72 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -85.29 4.11 36.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.155 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.18 103.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.018 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.07 110.18 11.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.659 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.11 170.3 26.57 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.419 1.074 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.683 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -39.73 -35.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.344 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.48 176.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.546 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.7 tp10 -135.24 6.71 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.31 -123.69 4.67 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.35 144.81 51.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.485 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.54 -4.59 59.52 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.592 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.38 146.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.34 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.702 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.46 -167.85 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -127.93 127.55 43.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.628 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.009 HD13 HG21 ' A' ' 63' ' ' ILE . 3.8 pt -140.25 134.76 35.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -134.94 168.74 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.384 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.613 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -62.75 -44.45 96.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.441 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -64.32 -25.59 68.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 108.339 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.433 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.8 t0 -81.61 170.26 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.018 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -74.32 117.93 16.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.859 ' CD1' HG23 ' A' ' 74' ' ' VAL . 6.6 pt -164.5 134.03 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.618 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.69 157.13 32.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.6 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 10.82 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.51 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.5 t90 72.02 -59.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 109' ' ' THR . 46.3 t0 -69.32 52.39 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.7 p -158.97 -55.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.383 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.993 HD22 ' HB3' ' A' ' 114' ' ' GLN . 44.5 mt 10.09 -106.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.26 -41.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.599 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.6 -63.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.437 ' N ' HG22 ' A' ' 112' ' ' THR . 43.7 m -51.79 -25.05 6.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.993 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.7 mp0 -84.59 -33.09 23.44 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.76 ' HA ' HD12 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -72.96 -41.85 63.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.553 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.41 -20.8 65.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.608 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.47 -18.86 25.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 115' ' ' LYS . 0.4 OUTLIER -69.77 -28.38 65.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.407 1.067 . . . . 0.0 109.342 179.92 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 116' ' ' LYS . 1.4 p-10 -88.73 -5.71 57.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.57 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 1.0 OUTLIER -89.19 23.69 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.589 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.434 ' C ' ' HG2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER 48.6 -93.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.249 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.745 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 6.0 p90 -142.58 94.04 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 125' ' ' GLY . 2.3 tt0 55.59 62.8 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.57 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -66.75 58.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 53.72 23.95 23.6 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.511 1.132 . . . . 0.0 111.086 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -57.16 -169.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 179.981 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.608 ' O ' HD21 ' A' ' 100' ' ' LEU . 1.1 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.96 38.53 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.745 ' O ' HD11 ' A' ' 100' ' ' LEU . 3.7 t -73.81 177.0 5.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 108.283 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -120.88 123.95 27.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.958 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 121.53 6.62 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.737 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.2 p -142.8 -133.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.737 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.0 OUTLIER 34.32 88.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 5.56 3.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.605 ' HB2' HG22 ' A' ' 113' ' ' THR . 0.5 OUTLIER -142.99 -46.18 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.496 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -59.38 -9.63 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 110.344 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.826 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.55 -33.44 28.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.855 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -90.96 6.59 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.477 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.6 m -115.84 -9.53 11.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 108.296 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.29 -38.97 6.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.645 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -51.97 171.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.392 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.44 14.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.783 HG21 ' SD ' ' A' ' 96' ' ' MET . 10.8 p -166.67 84.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.031 HG13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.56 121.11 46.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.542 HD11 ' HE2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -145.86 125.36 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.676 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.2 ttp180 -77.54 38.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.857 HG21 HD12 ' A' ' 47' ' ' ILE . 2.0 t -60.23 178.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.513 ' HG2' HG22 ' A' ' 50' ' ' ILE . 13.9 ptmt -132.65 118.88 19.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.849 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.52 106.8 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.847 HG12 HG11 ' A' ' 78' ' ' VAL . 2.3 m -109.05 -35.31 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.502 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.95 168.05 10.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.0 mp0 -151.87 174.66 13.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.662 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.0 ttpt -139.18 111.8 7.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.619 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.2 tt0 -73.9 93.92 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.511 HG13 ' HG2' ' A' ' 27' ' ' LYS . 34.7 m -108.71 112.75 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.664 ' CG ' ' HZ3' ' A' ' 41' ' ' LYS . 2.2 m-20 -61.82 155.42 23.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.526 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.8 t -139.51 21.29 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.01 -178.87 36.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.523 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.2 m120 -84.75 162.47 19.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 0.784 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.5 t0 -93.79 -162.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.767 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -80.34 0.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -107.88 -1.87 20.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.26 -8.74 77.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.523 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.7 p-10 -78.79 153.29 78.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.06 130.08 12.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.45 1.763 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 31' ' ' SER . 67.0 mt -68.91 -82.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.664 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 20.9 ttmm 68.44 125.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.475 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -129.01 71.81 1.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.048 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -43.5 143.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.662 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.2 mm100 -86.14 -179.74 6.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 1.012 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.68 67.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 15.0 tt0 -61.64 71.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.857 HD12 HG21 ' A' ' 21' ' ' THR . 2.7 pt -68.48 -171.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -126.04 1.14 7.25 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.497 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 53.76 115.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.564 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -126.5 -25.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.497 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -155.87 163.51 39.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.448 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -145.82 69.11 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 111.075 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.104 ' CE2' HD22 ' A' ' 118' ' ' LEU . 2.0 m-85 -38.86 -78.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.8 78.02 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.2 -155.68 7.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.105 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.578 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.02 -174.15 1.83 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.443 1.759 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -93.37 -32.61 14.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -78.25 -79.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 5.0 t70 151.62 169.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.643 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.6 mm -101.85 -73.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.55 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 73.66 -8.16 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.621 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -149.48 96.55 2.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 0.0 111.059 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.965 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -102.12 169.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.925 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.714 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -119.27 153.33 35.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 65' ' ' THR . . . . . 1.012 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 10.1 t -169.89 -159.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -109.88 149.83 40.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.048 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.0 -159.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.797 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.428 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.7 OUTLIER 55.21 -171.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.943 179.961 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 p -70.42 53.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.619 ' HB2' ' OG ' ' A' ' 75' ' ' SER . . . 60.99 100.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.682 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -110.6 -27.29 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.744 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 8.7 m -136.36 10.52 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.586 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.31 -152.4 5.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.122 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.825 HG23 ' CD1' ' A' ' 104' ' ' ILE . 51.4 t -114.22 -2.3 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.368 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.619 ' OG ' ' HB2' ' A' ' 70' ' ' ALA . 88.2 p 36.29 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.982 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -110.91 135.09 51.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.453 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -125.04 2.36 7.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.248 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.92 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 70.09 -55.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -56.58 -11.67 5.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.418 1.074 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.444 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -117.47 -25.5 3.15 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -116.43 -91.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 0.736 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.92 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 161.17 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.553 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -151.73 161.98 41.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.145 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -149.45 152.76 36.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.807 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -83.31 1.51 40.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.145 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 12.05 99.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.031 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -126.02 108.42 11.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.569 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.68 171.01 24.95 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.4 tttm -43.44 -32.68 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 0.812 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.03 179.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.574 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -131.93 -38.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.64 -133.14 2.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -113.51 133.72 55.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.13 -3.43 71.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.621 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -168.61 140.77 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 0.0 109.368 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.783 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -138.9 -159.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.714 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -140.23 125.42 18.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.968 HD12 HG13 ' A' ' 86' ' ' ILE . 1.5 pt -139.94 146.87 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -142.42 165.38 27.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.745 HD11 ' O ' ' A' ' 3' ' ' CYS . 1.1 pt? -58.69 -48.41 81.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.461 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -61.37 -30.17 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.259 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.48 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.1 t0 -75.05 165.37 25.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.409 1.068 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.962 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -69.95 114.53 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.835 HG22 ' HA ' ' A' ' 86' ' ' ILE . 7.0 pt -163.23 128.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.481 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.68 157.45 38.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.568 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 6.6 3.28 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.44 1.758 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.807 ' HD1' HD12 ' A' ' 85' ' ' LEU . 1.7 t90 75.33 -57.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.582 ' O ' HG23 ' A' ' 109' ' ' THR . 38.1 t0 -69.27 50.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.71 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.9 p -158.18 -54.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.022 HD22 ' HB3' ' A' ' 114' ' ' GLN . 39.9 mt 5.02 -106.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.9 m 146.12 -41.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.592 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.37 -65.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.462 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.605 HG22 ' HB2' ' A' ' 9' ' ' GLN . 32.1 m -49.01 -22.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.022 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.5 mp0 -88.08 -34.71 17.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.89 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -71.32 -39.7 71.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.498 ' O ' ' OD1' ' A' ' 119' ' ' ASN . 0.0 OUTLIER -63.61 -15.34 57.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.601 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -99.65 -9.0 23.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.104 HD22 ' CE2' ' A' ' 53' ' ' PHE . 3.4 mt -87.8 -27.44 22.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.498 ' OD1' ' O ' ' A' ' 116' ' ' LYS . 1.2 p-10 -74.79 -26.77 59.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.57 ' CD2' ' SD ' ' A' ' 124' ' ' MET . 1.0 OUTLIER -91.07 159.46 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.642 179.92 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.439 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -38.19 -91.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.535 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 0.6 OUTLIER -156.64 10.77 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.3 OUTLIER 174.64 48.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.57 ' SD ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -68.19 55.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 66.68 8.34 46.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.432 1.083 . . . . 0.0 111.031 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.418 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -63.18 161.5 13.49 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.434 ' N ' ' HG2' ' A' ' 9' ' ' GLN . 1.3 tp10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.216 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.936 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 79.5 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.89 49.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.916 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.403 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -100.63 157.62 16.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 108.341 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.5 p -99.31 110.14 57.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 128.34 11.47 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.529 1.805 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.746 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.5 p -156.17 -133.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.746 ' N ' HG13 ' A' ' 6' ' ' VAL . 2.2 p80 39.01 85.85 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.609 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.61 ' O ' HG22 ' A' ' 113' ' ' THR . 18.3 Cg_endo -74.99 1.29 7.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.55 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -136.13 -45.51 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -60.41 -8.07 2.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 110.308 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.798 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.99 -33.84 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.398 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.854 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -91.38 6.03 46.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.6 m -115.69 -8.96 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.88 -40.15 6.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.585 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.66 170.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.53 14.55 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.746 HG21 ' SD ' ' A' ' 96' ' ' MET . 11.3 p -166.33 89.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.996 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -99.88 117.59 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.635 HD12 ' OE1' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -142.2 126.15 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.3 tmm_? -77.82 38.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.977 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.0 t -60.95 167.47 2.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.538 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 16.2 ptmt -122.25 120.73 34.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.872 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.28 102.91 15.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.686 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.9 m -104.77 -36.44 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.518 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.8 169.06 9.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.903 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.459 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -152.96 177.38 10.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.657 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -141.23 112.05 7.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.631 ' HG2' ' HZ2' ' A' ' 41' ' ' LYS . 1.9 tt0 -75.0 91.66 2.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.465 HG13 ' HG2' ' A' ' 27' ' ' LYS . 32.0 m -107.5 129.94 60.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.29 157.29 32.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.452 ' HB3' HG22 ' A' ' 40' ' ' ILE . 3.2 t -140.52 20.82 2.37 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.434 1.084 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 78.42 177.33 48.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.426 1.078 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.2 m120 -83.98 162.97 20.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 0.818 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.51 -162.43 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.03 0.16 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.38 -0.47 20.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.53 -9.43 73.6 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.518 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.2 p-10 -77.08 152.35 82.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.98 129.76 12.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.426 1.751 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 31' ' ' SER . 50.0 mt -65.43 -85.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.631 ' HZ2' ' HG2' ' A' ' 28' ' ' GLU . 18.3 ttmm 72.98 129.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.569 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -131.8 67.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.992 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -36.81 140.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.657 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.3 mm100 -83.61 -178.8 7.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.92 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.53 70.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.5 tt0 -63.77 67.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.977 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.5 pt -66.47 -171.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.615 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -124.68 8.34 8.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.944 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.635 ' OE1' HD12 ' A' ' 19' ' ' ILE . 10.2 mm100 38.84 105.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.597 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -115.03 -34.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.082 . . . . 0.0 109.358 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -141.34 160.02 40.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.929 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.463 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -143.64 67.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.64 ' CE1' HD22 ' A' ' 118' ' ' LEU . 29.6 m-85 -38.82 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.616 ' HB3' HG23 ' A' ' 18' ' ' VAL . 14.8 tptt -122.64 74.91 1.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.2 -163.73 11.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.738 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.97 -165.36 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.434 1.755 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.9 -34.22 10.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -73.42 -80.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.586 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.8 t70 150.54 163.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.755 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.1 mm -105.8 -80.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.482 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 76.66 -9.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.592 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -143.4 98.43 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.39 1.057 . . . . 0.0 111.056 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.979 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -103.65 170.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -123.28 150.15 43.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.792 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.8 t -163.9 -162.32 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.739 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -106.72 150.77 40.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.992 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.5 m 56.82 -171.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.41 55.79 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.564 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 55.29 97.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.572 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -105.84 -45.82 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.936 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 7.6 m -114.87 15.55 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.604 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.57 -150.13 5.44 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.89 HG23 HD12 ' A' ' 104' ' ' ILE . 87.0 t -118.94 0.81 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.262 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.564 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 4.8 p 31.47 84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.97 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.139 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.48 135.64 45.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.465 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -122.24 2.41 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.686 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.8 t 68.52 -55.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -57.6 -10.17 5.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.456 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.2 -16.97 5.06 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.34 -89.9 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 161.99 -67.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.907 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.546 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -164.79 166.18 20.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.139 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.5 p90 -152.08 151.71 31.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.789 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.77 2.5 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.103 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.66 99.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.041 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -123.53 105.99 10.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.667 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.53 160.1 26.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.724 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 9.1 tttt -36.66 -33.59 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 0.731 . . . . 0.0 109.304 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 87.86 -177.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.544 ' OE1' ' CD2' ' A' ' 97' ' ' HIS . 15.7 tp10 -134.22 -37.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.82 -136.33 3.56 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.65 132.76 54.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 76.79 1.33 71.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -169.9 131.93 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.755 ' CG ' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -131.71 -159.02 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.544 ' CD2' ' OE1' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -142.4 123.38 14.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.016 HD12 HG13 ' A' ' 86' ' ' ILE . 1.7 pt -137.65 147.26 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -144.72 167.15 23.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.404 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.614 HD21 ' O ' ' A' ' 1' ' ' CYS . 0.4 OUTLIER -60.22 -44.9 94.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -31.46 72.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 108.312 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -75.13 166.38 23.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.041 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.91 115.18 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.89 HD12 HG23 ' A' ' 74' ' ' VAL . 7.4 pt -162.53 133.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.667 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -151.64 156.82 34.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.604 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.1 10.03 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.409 1.742 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.418 ' CZ3' ' NH1' ' A' ' 20' ' ' ARG . 9.4 t90 73.12 -59.8 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.682 ' O ' HG23 ' A' ' 109' ' ' THR . 30.5 t70 -70.25 53.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 108' ' ' ASP . 3.9 p -159.63 -56.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.033 HD22 ' HB3' ' A' ' 114' ' ' GLN . 56.6 mt 9.77 -106.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.14 -42.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.585 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.75 -64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.379 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 8' ' ' PRO . 1.3 m -50.17 -26.25 4.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.452 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.033 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.9 mp0 -83.21 -35.2 25.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.614 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.34 -42.33 72.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.634 ' NZ ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -63.06 -19.63 64.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.618 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.54 -12.61 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.64 HD22 ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -76.82 -23.1 52.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -102.45 8.92 39.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.074 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.634 ' CD2' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -89.12 15.78 8.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.561 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.29 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.829 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 1.1 p90 -171.2 93.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.433 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 1.9 tt0 57.4 53.99 7.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.538 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.31 53.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.948 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 60.05 26.09 62.92 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -169.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.396 1.06 . . . . 0.0 110.307 -179.911 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.7 ' O ' HD21 ' A' ' 100' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.537 ' C ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -28.09 93.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.52 1.138 . . . . 0.0 109.95 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 1' ' ' CYS . 36.0 t -147.33 141.68 26.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 108.296 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.8 p -65.61 110.04 3.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.468 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.5 Cg_endo -74.96 98.87 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.538 1.81 . . . . 0.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.742 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.2 p -125.66 -132.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.742 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 43.32 82.02 0.24 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.72 11.59 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 111.07 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.6 OUTLIER -135.01 -44.52 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -60.58 -8.02 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.361 179.96 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.808 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.86 -34.25 30.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.866 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -91.82 5.58 49.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.7 m -115.02 -8.8 12.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 108.265 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.7 OUTLIER -106.62 -39.94 5.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.369 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.56 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.05 171.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.22 15.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.672 HG23 ' HD3' ' A' ' 56' ' ' PRO . 11.1 p -166.0 88.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.032 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.76 117.51 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.909 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.677 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -143.48 125.12 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.679 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.5 mtp180 -77.5 40.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.889 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -60.91 176.0 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.454 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.618 ' HG2' HG22 ' A' ' 50' ' ' ILE . 13.7 ptmt -129.41 120.47 25.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.819 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.96 107.01 18.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.847 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.5 m -110.06 -36.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -112.48 170.02 8.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.043 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -152.32 -175.67 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.638 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.1 ttpt -149.82 114.51 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.533 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 4.7 tt0 -73.45 92.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.489 HG13 ' HG2' ' A' ' 27' ' ' LYS . 34.4 m -107.1 111.09 34.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.43 150.96 47.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.209 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.547 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.9 t -134.06 28.73 3.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.9 -176.98 28.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.6 m120 -85.07 165.69 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.3 t70 -96.87 -162.33 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.796 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.4 mp -80.23 -0.12 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -107.87 -0.94 21.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.63 -7.96 79.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.501 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 6.7 p-10 -78.4 152.07 78.29 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.0 128.46 11.5 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.612 1.849 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 31' ' ' SER . 39.0 mt -66.58 -89.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.533 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 19.7 ttmm 73.01 126.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.511 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -133.83 72.62 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -39.75 148.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.768 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.4 mm100 -87.16 -176.85 5.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.974 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.89 68.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 16.2 tt0 -62.65 70.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.289 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.889 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.2 pt -65.97 -172.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -126.23 1.4 7.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.527 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.33 124.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.641 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -131.84 -30.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.515 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -153.55 168.22 26.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.221 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.521 ' HA ' HG22 ' A' ' 19' ' ' ILE . 1.3 ptt? -145.65 64.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.969 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -35.88 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.505 1.128 . . . . 0.0 110.928 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.669 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -128.08 66.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.44 -157.3 9.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.99 -177.06 3.2 Favored 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.562 1.822 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -90.08 -32.54 16.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.47 -79.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 151.49 170.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.619 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.2 mm -102.35 -71.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 73.53 -6.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.611 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -148.79 100.18 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.011 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -107.44 172.69 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.768 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 11.3 m-85 -119.57 156.39 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.974 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.1 t -176.67 -167.04 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.432 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.494 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -89.75 146.96 36.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' A' ' 68' ' ' SER . 18.3 Cg_endo -74.91 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.567 ' O ' ' O ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -47.55 -171.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.006 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.3 p -66.94 56.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 109.96 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.741 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 58.2 92.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.549 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.8 OUTLIER -107.38 -26.91 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.752 ' O ' HG22 ' A' ' 99' ' ' THR . 12.8 m -134.43 12.21 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.502 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -148.38 -152.58 5.73 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.515 1.134 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.942 HG23 HD12 ' A' ' 104' ' ' ILE . 73.3 t -113.09 -10.7 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.741 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 14.1 p 43.66 83.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.152 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -108.29 133.8 52.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.231 -179.937 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.506 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -120.82 -0.17 10.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.053 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 72.22 -56.07 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -53.95 -9.81 1.47 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.536 1.147 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.478 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -119.21 -28.41 2.0 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.478 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -114.89 -94.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.366 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.053 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.57 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.581 ' O ' ' O ' ' A' ' 106' ' ' PRO . 2.0 mp0 -146.48 153.84 40.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.152 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.4 p90 -137.22 153.03 50.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.726 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.9 3.4 30.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.145 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.06 103.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.05 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.92 108.72 10.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.513 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.51 176.3 23.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.7 -38.39 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.27 175.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.526 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.6 tp10 -134.88 7.69 3.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.22 -121.85 4.23 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.443 1.09 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.06 144.93 51.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 77.79 -3.8 59.29 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.501 1.125 . . . . 0.0 111.05 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.81 144.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.359 179.908 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.716 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.08 -169.1 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -127.44 130.11 48.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.622 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.011 HD13 HG21 ' A' ' 63' ' ' ILE . 12.0 pt -142.54 139.14 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -139.24 161.99 36.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 110.407 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.7 HD21 ' O ' ' A' ' 1' ' ' CYS . 1.2 pt? -55.62 -44.86 77.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 1.6 t -63.67 -33.72 76.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 108.241 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.421 ' O ' HG12 ' A' ' 104' ' ' ILE . 3.6 t0 -73.15 166.34 23.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.05 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.41 117.41 11.92 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 111.002 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.942 HD12 HG23 ' A' ' 74' ' ' VAL . 4.7 pt -163.98 136.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.689 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -157.54 156.72 29.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.595 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -74.99 11.39 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.562 1.822 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.679 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.5 t90 71.15 -60.11 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 107.952 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.659 ' O ' HG23 ' A' ' 109' ' ' THR . 21.1 t0 -69.21 52.1 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.7 p -158.72 -56.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.011 HD22 ' HB3' ' A' ' 114' ' ' GLN . 47.5 mt 9.79 -106.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 146.61 -42.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.582 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.77 -65.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.41 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.507 ' N ' HG22 ' A' ' 112' ' ' THR . 23.6 m -48.93 -24.45 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.011 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.0 mp0 -86.26 -35.12 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.603 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.56 -41.19 72.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.646 ' NZ ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -63.02 -19.02 63.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.225 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.55 -12.87 28.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.969 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 34.1 mt -70.7 -28.5 64.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -98.53 15.4 25.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.646 ' CD2' ' NZ ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -98.25 10.53 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.605 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.496 ' HD2' ' CD ' ' A' ' 54' ' ' LYS . 1.0 OUTLIER 59.11 -82.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.249 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.56 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 1.4 t80 -154.2 93.45 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.49 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 2.1 tt0 56.12 51.81 11.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.395 1.059 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.561 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.07 55.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 58.83 27.35 61.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.405 1.066 . . . . 0.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.409 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -60.61 -167.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.948 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.406 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 9.2 tp10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 110.216 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.84 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 85.3 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.91 56.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 1' ' ' CYS . 37.0 t -106.33 157.88 17.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.247 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.3 p -90.61 112.1 51.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 126.71 10.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.759 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.6 p -155.19 -133.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.116 . . . . 0.0 109.366 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.759 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.66 88.17 0.1 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.621 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -74.97 -25.77 11.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' CG ' ' SG ' ' A' ' 126' ' ' CYS . 1.4 tt0 -117.52 -36.08 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 3.0 mt-30 -64.82 -7.95 13.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.817 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.68 -36.41 28.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.869 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -87.78 3.39 48.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -113.68 -14.71 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.24 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.08 -36.89 10.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.618 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.83 173.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.494 ' HA ' ' CE2' ' A' ' 122' ' ' TYR . 0.4 OUTLIER -151.85 13.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.234 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.8 HG21 ' SD ' ' A' ' 96' ' ' MET . 7.2 p -166.29 86.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.99 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -98.93 118.77 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.606 HD11 ' HE2' ' A' ' 96' ' ' MET . 1.1 pt -143.58 126.71 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.656 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 10.9 ttp85 -78.58 40.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.891 HG21 HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.86 173.4 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.8 ptmt -125.69 120.51 30.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.82 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.95 105.05 16.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.842 ' CG1' HG11 ' A' ' 78' ' ' VAL . 3.3 m -109.38 -39.42 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.501 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -110.0 161.39 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -148.35 -174.06 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.5 ttpt -154.58 112.47 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.492 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.4 tt0 -74.69 91.88 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.553 HG13 ' HG2' ' A' ' 27' ' ' LYS . 16.6 m -100.06 82.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.46 141.75 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.0 t -127.13 30.91 5.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.1 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.77 -171.07 7.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.2 m-20 -83.79 164.8 19.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -95.31 -161.89 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.778 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.56 0.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -107.6 -1.29 21.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.1 -8.89 76.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -78.4 153.4 79.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.588 0.816 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.93 128.99 11.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 31' ' ' SER . 34.4 mt -72.1 -94.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 21.7 ttmt 72.46 122.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.481 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -126.45 68.7 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.037 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -38.98 144.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.778 ' NE2' ' CE1' ' A' ' 64' ' ' TYR . 6.1 mm100 -86.94 177.65 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.957 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.44 67.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.501 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.0 tt0 -63.06 68.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.891 HD12 HG21 ' A' ' 21' ' ' THR . 3.3 pt -63.82 -174.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -124.64 1.05 8.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.526 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 53.56 119.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.951 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.529 HD11 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -129.16 -29.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -180.0 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.75 163.0 40.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.463 ' HA ' HG22 ' A' ' 19' ' ' ILE . 1.7 ptm -144.98 68.5 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.82 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 14.2 m-85 -39.87 -78.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -124.47 71.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.93 -161.14 10.53 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.579 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.04 -176.45 2.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.06 -33.57 15.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.572 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -75.89 -79.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.6 t70 149.41 169.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.605 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.1 mm -102.9 -73.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.557 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.93 -7.67 1.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.327 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.613 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.6 m-85 -147.47 95.38 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.933 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -105.9 167.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.778 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 5.4 m-85 -118.07 150.11 39.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.899 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.3 t -164.2 -168.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.449 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.761 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.91 148.36 36.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.037 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.04 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.44 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 1.6 m 56.95 -169.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.035 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.7 p -69.22 54.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.746 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 54.52 92.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.575 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -99.78 -41.43 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.376 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.84 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 7.9 m -121.19 13.33 11.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 108.305 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.746 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -154.17 -153.53 6.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.899 HG23 HD12 ' A' ' 104' ' ' ILE . 75.0 t -115.95 -2.67 10.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 74' ' ' VAL . 83.5 p 35.24 84.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.132 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.41 135.86 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.489 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -123.27 -0.04 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.357 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.024 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.45 -56.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.407 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -52.55 -11.7 1.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.462 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.13 -27.74 2.38 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -114.3 -93.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.024 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.14 -82.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.553 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.6 OUTLIER -148.66 156.09 41.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.938 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.132 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.1 p90 -141.07 152.98 45.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.77 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.34 1.03 39.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.124 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.46 100.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.003 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.77 106.77 9.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.598 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.76 165.1 26.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.667 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 3.3 tttm -39.67 -29.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 82.74 -179.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.535 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 15.1 tp10 -134.98 -37.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 171.44 -144.99 8.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.597 1.186 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.86 133.4 48.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.774 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 83.17 -6.59 70.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.075 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -167.72 143.91 4.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.247 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.8 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -139.93 -158.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.04 124.84 21.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.999 HD12 HG13 ' A' ' 86' ' ' ILE . 2.8 pt -139.86 141.27 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.803 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -141.36 164.7 29.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.428 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.79 HD21 ' O ' ' A' ' 1' ' ' CYS . 0.6 OUTLIER -58.64 -43.45 89.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.502 ' H ' HD23 ' A' ' 100' ' ' LEU . 1.7 t -63.73 -32.99 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 108.383 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -75.73 166.9 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.003 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.07 116.76 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.899 HD12 HG23 ' A' ' 74' ' ' VAL . 6.2 pt -163.25 133.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.628 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.7 156.71 31.01 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.683 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.06 11.68 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.406 1.74 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.656 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 4.6 t90 71.9 -60.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 108.01 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 109' ' ' THR . 12.4 t0 -70.37 51.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.683 ' OG1' ' HD2' ' A' ' 106' ' ' PRO . 2.1 p -158.59 -55.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.891 HD22 ' HB3' ' A' ' 114' ' ' GLN . 60.7 mt 11.77 -105.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.81 -42.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.584 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.09 -63.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.527 HG23 ' HE2' ' A' ' 116' ' ' LYS . 1.4 m -54.45 -24.01 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.891 ' HB3' HD22 ' A' ' 110' ' ' LEU . 2.5 mp0 -80.43 -36.34 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.76 ' HA ' HD23 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -68.74 -47.3 66.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.527 ' HE2' HG23 ' A' ' 113' ' ' THR . 0.2 OUTLIER -63.27 -10.86 17.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.602 ' HA ' ' CE1' ' A' ' 120' ' ' HIS . 0.2 OUTLIER -108.05 -14.12 14.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.82 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -96.31 -13.85 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.61 -27.74 17.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.602 ' CE1' ' HA ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -86.8 54.83 3.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.638 179.974 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER 65.38 -98.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.959 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.6 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 8.6 p90 -171.29 18.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.6 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 1.3 tt0 170.31 51.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.522 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.97 52.91 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 49.75 21.68 3.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.588 1.18 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.462 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -61.82 -170.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.985 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.717 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 59.4 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER 53.21 13.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.053 -179.938 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 101' ' ' CYS . 1.5 m -54.47 -174.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.188 . . . . 0.0 108.373 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.1 p -128.88 107.95 18.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.957 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 121.75 6.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.556 1.819 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.751 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -149.92 -134.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.751 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 31.29 92.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.536 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.06 -28.55 8.98 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.572 1.827 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.606 HE22 ' HD3' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -107.03 -33.29 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.514 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -72.98 -4.91 35.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.771 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.95 -34.44 24.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.905 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.5 m-85 -91.3 -5.19 55.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.1 m -102.27 -10.56 19.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 108.342 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -103.64 -41.24 6.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.601 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.26 170.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.72 14.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.787 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 9.0 p -166.27 90.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.034 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.08 118.86 48.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.657 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -144.53 123.87 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.677 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.2 mtp180 -76.24 40.12 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.945 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.8 t -62.63 172.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 14.5 ptmt -126.41 120.58 30.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.857 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.16 107.08 18.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.793 HG12 HG11 ' A' ' 78' ' ' VAL . 2.6 m -110.18 -37.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.525 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -114.11 164.95 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -148.5 -175.27 4.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.237 -179.922 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.7 ttpt -152.22 112.1 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.484 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -75.02 88.74 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.555 HG23 ' HG3' ' A' ' 42' ' ' ARG . 15.8 m -95.24 79.62 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -44.04 140.63 1.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.521 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.7 t -126.84 31.25 5.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.72 -169.58 4.25 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.542 1.151 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.3 m-80 -84.07 163.67 19.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 0.774 . . . . 0.0 109.358 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.2 t70 -94.44 -161.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.788 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.5 mp -80.69 1.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.23 -1.64 20.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 111.061 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.84 -8.72 76.88 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.543 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.3 p-10 -79.56 153.32 76.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.41 0.712 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.02 130.47 13.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 41' ' ' LYS . 35.8 mt -75.01 -93.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 23.2 ttmt 71.2 122.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.555 ' HG3' HG23 ' A' ' 29' ' ' VAL . 1.6 ptt180 -128.0 74.38 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.987 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -44.63 142.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.649 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.5 mm100 -85.38 -178.65 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 1.012 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.18 67.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.525 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.1 tt0 -62.28 68.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.328 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.945 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.3 pt -67.07 -175.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.494 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -119.63 -2.71 10.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.522 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.4 mm100 51.75 108.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.465 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -116.24 -35.28 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.515 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -144.81 161.12 40.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -140.35 67.57 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.928 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.845 ' CE2' HD22 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -35.32 -80.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.625 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -127.35 72.33 1.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.24 -163.12 12.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.743 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.03 -172.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -94.43 -33.3 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.653 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.03 -79.17 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.653 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.9 t70 148.35 164.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.693 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -106.18 -78.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.509 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.0 OUTLIER 72.67 -7.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.343 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.577 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -144.29 94.12 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.11 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -99.22 171.37 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.659 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.17 155.49 38.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 65' ' ' THR . . . . . 1.012 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.5 t -170.94 -161.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.401 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.686 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -108.93 151.5 41.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.987 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -161.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.06 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.3 m 58.15 -172.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.949 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.7 p -68.82 56.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.956 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.654 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 54.99 104.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.701 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -112.25 -44.04 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.927 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.717 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 9.6 m -116.88 12.33 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.514 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -151.76 -156.64 7.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.882 HG23 HD12 ' A' ' 104' ' ' ILE . 96.2 t -111.49 2.04 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.359 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.654 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 9.7 p 31.57 88.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.955 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -109.77 130.57 55.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.915 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.484 ' OD2' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -122.26 2.53 9.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.047 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.5 t 70.82 -55.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.94 -12.34 1.72 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.477 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.65 -30.85 1.58 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.52 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -110.66 -95.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 0.728 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.047 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.45 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -149.08 159.27 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.155 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.4 p90 -146.37 153.35 40.41 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.76 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.58 3.5 36.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.155 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.54 101.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.069 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.05 108.9 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.28 -178.05 18.77 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -48.91 -38.74 23.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 0.716 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.787 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 84.03 173.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.535 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 6.6 tp10 -130.16 1.31 4.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.73 -119.66 2.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.65 142.0 49.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.494 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 80.58 -4.39 69.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.044 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.84 140.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.752 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -144.16 -170.48 3.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.56 129.71 47.8 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.528 1.143 . . . . 0.0 109.574 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.11 HD13 HG21 ' A' ' 63' ' ' ILE . 6.3 pt -141.31 134.02 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.602 ' O ' HD11 ' A' ' 104' ' ' ILE . 48.6 p -130.26 164.12 25.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -64.22 -24.37 67.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -80.08 -30.53 39.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -78.33 171.18 15.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.069 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -71.56 120.58 17.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.97 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.882 HD12 HG23 ' A' ' 74' ' ' VAL . 5.5 pt -165.68 138.9 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.667 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -158.59 157.89 29.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.582 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.98 9.04 2.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.526 1.803 . . . . 0.0 110.978 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.677 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.5 t90 73.36 -58.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 108.021 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.65 ' O ' HG23 ' A' ' 109' ' ' THR . 8.1 t70 -69.56 51.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.678 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.4 p -159.19 -55.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.403 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.979 HD22 ' HB3' ' A' ' 114' ' ' GLN . 64.0 mt 11.55 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 147.36 -40.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.95 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.607 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.21 -66.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.393 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.496 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 1.3 m -49.59 -26.63 3.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.979 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.9 mp0 -82.25 -29.28 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.855 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -77.13 -42.86 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.606 ' HD3' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -61.54 -21.66 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.683 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.34 -10.22 47.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.992 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.855 HD12 ' HA ' ' A' ' 115' ' ' LYS . 49.0 mt -75.26 -27.22 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.387 1.054 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -102.09 15.81 27.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.489 ' CE1' ' H ' ' A' ' 123' ' ' GLN . 0.0 OUTLIER -87.91 0.84 55.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 109.604 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.491 ' O ' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 70.37 -58.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 110.289 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.482 ' HA ' ' CE1' ' A' ' 120' ' ' HIS . 1.4 t80 175.83 94.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.489 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 2.2 tt0 49.77 50.83 17.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.2 55.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 65.69 8.95 42.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.428 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 1.2 p -52.21 175.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.351 -179.975 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 71' ' ' VAL . 30.2 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 162.04 53.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.961 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.609 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -72.74 -161.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.255 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.6 p -147.44 122.33 5.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.061 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.441 ' CB ' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.06 78.59 2.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.716 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.1 p -90.05 -132.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.716 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.8 OUTLIER 33.08 91.98 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.557 -179.94 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.613 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -75.04 6.53 3.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.549 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -141.74 -43.85 0.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.522 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.53 -7.23 9.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.805 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.13 -32.44 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.9 m-85 -91.06 -5.43 55.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.3 m -102.63 -8.79 20.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 108.376 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.08 -41.64 5.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.623 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.35 169.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.29 11.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.624 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 7.7 p -165.89 93.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.998 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.72 119.11 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.619 HG13 HG22 ' A' ' 21' ' ' THR . 0.6 OUTLIER -142.14 124.76 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.623 ' HD2' HD11 ' A' ' 50' ' ' ILE . 1.2 tmm_? -79.19 40.98 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.915 HG21 HD12 ' A' ' 47' ' ' ILE . 1.3 t -64.5 173.66 2.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.508 ' HG2' HG22 ' A' ' 50' ' ' ILE . 17.0 ptmt -126.76 119.62 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.875 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.69 106.41 18.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.371 1.045 . . . . 0.0 109.233 -179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.707 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.9 m -108.92 -35.09 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -116.32 166.37 12.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.476 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.9 mp0 -151.78 178.47 9.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.679 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.1 ttpt -143.44 112.63 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.614 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.8 tt0 -74.24 96.05 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG13 ' HG2' ' A' ' 27' ' ' LYS . 33.3 m -112.56 113.66 44.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' OD2' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -62.73 155.43 26.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.8 t -138.22 23.73 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' ILE . . . 74.14 -179.57 42.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.14 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.514 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.1 m-20 -84.39 164.72 18.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.9 t0 -97.09 -162.26 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.777 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -79.82 -0.51 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.38 -0.91 22.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.34 -8.77 75.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.3 p-10 -78.21 153.47 79.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.98 129.04 11.99 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.552 1.817 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 31' ' ' SER . 49.3 mt -65.49 -85.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HG2' ' HG3' ' A' ' 67' ' ' PRO . 19.8 ttmm 73.04 125.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.466 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -130.02 65.73 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.04 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -36.9 144.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.725 ' NE2' ' CE1' ' A' ' 64' ' ' TYR . 6.4 mm100 -86.03 -179.58 6.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 1.006 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.29 68.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.092 179.916 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.9 tt0 -63.81 67.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.258 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.971 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.5 pt -64.83 -170.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.7 ttpt -126.78 0.39 6.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.562 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 50.17 114.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.938 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.623 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -123.06 -31.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.946 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -146.19 166.01 27.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.251 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.525 ' O ' ' CE ' ' A' ' 52' ' ' MET . 1.1 ttp -145.53 72.15 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.025 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -43.27 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.648 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -127.16 74.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.213 -179.955 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -130.62 -164.82 11.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.599 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -74.94 177.62 8.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.29 -35.85 63.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.94 -87.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.0 t70 151.68 166.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.019 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.4 OUTLIER -119.99 76.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.483 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -70.33 -5.52 28.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 6.7 m-85 -135.01 92.07 2.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.409 1.068 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.938 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -96.13 167.76 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.725 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 20.0 m-85 -117.87 145.86 44.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.858 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.7 t -162.72 -170.8 2.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.775 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -101.96 149.34 36.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.04 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.98 -158.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.46 -160.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.69 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 34.9 t -81.45 30.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.971 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.716 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 85.9 90.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.541 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.6 OUTLIER -98.68 -40.95 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.249 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.775 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 94.7 m -125.23 18.56 8.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.319 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.716 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -156.6 -159.39 9.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.815 HG23 ' CD1' ' A' ' 104' ' ' ILE . 55.6 t -111.87 -1.34 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.592 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 0.0 OUTLIER 33.11 87.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.041 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -106.11 137.32 44.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.489 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -123.67 0.22 8.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.707 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.7 t 69.45 -57.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -48.51 -15.46 0.47 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.479 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -114.32 -31.66 2.16 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -105.83 -93.31 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 163.0 -60.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.509 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -168.09 167.47 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.132 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -153.36 152.87 31.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.765 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.83 2.1 39.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.132 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 11.31 100.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 0.0 109.288 -179.917 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.067 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.38 110.65 12.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.401 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.08 170.74 26.43 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.15 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -41.89 -30.89 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 0.758 . . . . 0.0 109.239 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.68 -179.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.534 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.5 tp10 -139.06 -1.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 136.35 -125.0 3.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -126.52 146.96 49.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.435 ' H ' HD13 ' A' ' 60' ' ' ILE . . . 72.24 -1.37 34.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.839 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -178.39 137.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 96' ' ' MET . . . . . 1.019 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -132.98 -160.13 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.421 ' CG ' ' OE1' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -133.27 124.11 26.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.569 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.054 HD12 HG13 ' A' ' 86' ' ' ILE . 1.7 pt -139.35 133.42 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.63 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.8 p -133.29 169.02 17.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.609 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -66.24 -26.06 67.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.67 -22.69 37.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.415 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.9 t0 -87.24 169.63 12.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.231 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.067 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.48 118.89 13.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.864 HG23 ' O ' ' A' ' 103' ' ' PHE . 6.6 pt -165.66 134.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.652 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.62 157.16 32.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.969 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.579 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.05 8.27 2.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.804 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.613 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.8 t90 74.31 -59.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 0.0 107.954 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.632 ' O ' HG23 ' A' ' 109' ' ' THR . 23.9 t70 -68.29 52.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.222 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 8.2 p -158.83 -53.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.013 HD22 ' HB3' ' A' ' 114' ' ' GLN . 58.1 mt 6.25 -107.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.27 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 110.0 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.61 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.15 -65.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 110.412 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 8' ' ' PRO . 3.4 m -48.41 -26.12 1.94 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.522 1.138 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.013 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.2 mp0 -84.55 -32.32 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.705 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -72.69 -40.73 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.549 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.38 -19.69 64.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.657 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.65 -5.04 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 109.941 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.025 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 46.4 mt -80.35 -27.08 38.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -103.59 10.56 36.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.488 ' NE2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -81.61 5.75 17.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.583 179.941 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.507 ' O ' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 68.57 -61.36 0.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 120' ' ' HIS . 3.5 t80 177.22 93.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.47 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 2.2 tt0 52.36 50.72 17.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.5 55.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 63.6 18.95 62.07 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.416 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -57.32 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.488 ' H ' HE21 ' A' ' 9' ' ' GLN . 15.9 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.91 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 60.2 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 54.03 16.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.553 ' H ' HD21 ' A' ' 100' ' ' LEU . 1.7 m -55.61 -179.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 108.271 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.5 p -129.61 107.98 17.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 130.05 12.88 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.423 1.749 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.785 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.8 p -154.51 -134.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.785 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.8 OUTLIER 33.3 88.52 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.684 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 4.02 5.08 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.447 1.762 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.527 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -141.29 -44.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 2.9 mt-30 -63.64 -5.74 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.09 -36.55 24.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.873 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -87.43 -6.29 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.2 m -101.15 -17.76 16.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -93.47 -41.84 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.539 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.94 172.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -152.08 16.03 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.939 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 3.1 p -166.39 88.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.107 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -99.76 117.11 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.587 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -141.46 125.52 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.567 ' HD3' ' CE3' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -77.09 40.18 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.887 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.1 t -62.98 163.88 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.1 ptmt -119.33 120.42 36.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.835 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.85 104.91 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.874 HG12 HG11 ' A' ' 78' ' ' VAL . 2.6 m -107.76 -37.11 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -114.14 165.25 12.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.0 mp0 -148.58 -176.08 5.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.667 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.9 ttpt -151.86 114.09 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.498 ' CG ' ' HE3' ' A' ' 41' ' ' LYS . 8.7 tt0 -74.89 91.24 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.566 HG13 ' HG2' ' A' ' 27' ' ' LYS . 15.9 m -100.67 112.2 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.248 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.558 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -56.83 152.88 11.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.649 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -140.65 19.32 2.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.573 1.171 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.23 -178.65 37.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m-20 -83.98 163.93 19.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -94.98 -160.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.85 0.69 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.99 0.1 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.03 -8.58 75.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.4 p-10 -78.89 155.52 77.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.08 130.01 12.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.649 HG21 ' OG ' ' A' ' 31' ' ' SER . 50.2 mt -67.37 -79.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.6 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 13.1 tppt? 68.29 125.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.81 65.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.001 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -36.83 146.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.827 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.7 mm100 -89.86 -179.59 5.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.923 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.51 69.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.521 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.0 tt0 -63.78 68.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.887 HD12 ' CG2' ' A' ' 21' ' ' THR . 1.6 pt -65.45 -170.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.575 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.3 ttpt -127.51 4.27 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.575 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER 49.38 114.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.965 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.463 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -124.44 -33.44 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.2 tttt -144.76 162.85 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.511 ' HA ' HG22 ' A' ' 19' ' ' ILE . 9.7 ptm -146.89 63.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.66 ' CE1' HD22 ' A' ' 118' ' ' LEU . 51.9 m-85 -40.84 -70.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.781 ' HB3' HG23 ' A' ' 18' ' ' VAL . 47.2 tptt -130.31 161.35 31.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 128.08 -135.82 8.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.01 -166.9 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.85 -31.25 7.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.8 -80.19 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.3 t70 158.86 169.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.653 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.4 mm -100.07 -72.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.589 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.71 -10.38 1.19 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -145.4 97.11 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.024 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.11 169.46 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.827 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 5.6 m-85 -123.01 154.89 37.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.797 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.6 t -168.59 -161.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.758 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -106.79 152.75 40.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.001 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.06 -159.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.768 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.66 -161.17 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.979 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.725 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 35.3 p -81.15 28.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 88.42 97.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.509 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -108.24 -38.06 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.91 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 33.4 m -124.91 19.17 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.336 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.566 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -159.19 -158.43 9.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.939 HG23 HD12 ' A' ' 104' ' ' ILE . 82.6 t -110.64 1.12 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.664 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 30.76 84.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.955 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.154 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.06 135.01 46.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.493 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -123.79 0.17 8.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.066 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.5 t 71.53 -53.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.62 -11.72 2.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.442 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.82 -29.7 1.79 Allowed Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.526 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -112.65 -94.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.066 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.18 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.562 ' O ' ' O ' ' A' ' 106' ' ' PRO . 3.0 mp0 -146.78 158.76 43.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.154 ' CE2' HD13 ' A' ' 76' ' ' LEU . 3.2 p90 -144.85 151.4 38.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.882 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.15 3.38 27.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.392 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.147 HD13 ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.61 100.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.107 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -129.32 104.24 7.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -159.37 168.19 35.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -38.55 97.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.939 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -64.5 174.38 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.229 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.519 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.4 tp10 -126.11 12.78 7.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.01 -116.88 2.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.91 139.34 39.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 80.79 1.58 89.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.653 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.43 145.43 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 0.8 . . . . 0.0 109.371 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.684 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -151.98 -170.44 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 -179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.07 131.74 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.61 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.024 HD13 HG21 ' A' ' 63' ' ' ILE . 6.0 pt -141.82 149.36 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.642 ' O ' HD11 ' A' ' 104' ' ' ILE . 2.0 p -147.07 162.96 37.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.553 HD21 ' H ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -62.66 -28.28 69.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -30.98 57.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.13 171.14 15.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.029 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.75 118.74 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.939 HD12 HG23 ' A' ' 74' ' ' VAL . 5.9 pt -164.88 134.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.26 157.63 31.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.562 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.6 Cg_endo -74.92 6.48 3.33 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.614 ' HD1' HD12 ' A' ' 85' ' ' LEU . 3.4 t90 75.92 -57.79 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.573 ' O ' HG23 ' A' ' 109' ' ' THR . 17.0 t70 -68.61 50.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.693 ' O ' ' C ' ' A' ' 110' ' ' LEU . 15.3 p -158.28 -55.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.019 HD22 ' HB3' ' A' ' 114' ' ' GLN . 52.2 mt 9.02 -106.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.49 -43.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.565 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 162.16 -63.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.519 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 25.5 m -51.63 -26.82 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.425 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.019 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.7 mp0 -81.9 -34.28 30.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.601 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -71.03 -43.24 68.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.527 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.3 -19.95 63.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.627 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.96 -7.62 39.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.66 HD22 ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -81.18 -24.77 37.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.431 ' ND2' ' C ' ' A' ' 119' ' ' ASN . 0.5 OUTLIER -102.98 10.28 38.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.595 ' ND1' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -87.72 14.9 7.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.388 1.055 . . . . 0.0 109.567 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.416 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 65.77 -69.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.89 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.793 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 8.4 p90 -177.08 93.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.516 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER 54.71 51.85 13.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.42 53.45 0.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.145 . . . . 0.0 111.07 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 61.78 23.49 63.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.405 1.066 . . . . 0.0 111.018 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.407 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -59.53 -170.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.354 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.533 ' H1 ' ' HA ' ' A' ' 72' ' ' CYS . 93.7 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 54.58 13.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.432 ' H ' HD21 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -65.06 169.35 5.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 108.276 179.948 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -103.59 107.47 56.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 119.3 5.6 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.811 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.722 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -144.48 -133.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.722 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.2 p80 37.46 86.42 0.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.626 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -0.66 10.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.557 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 38.6 tp60 -137.09 -43.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.0 mt-30 -63.94 -5.61 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.814 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.2 -35.25 23.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.918 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -89.02 -0.22 57.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 1.7 m -109.0 -15.94 14.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.05 -38.19 10.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.572 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.05 172.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.09 15.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.697 HG23 ' HD3' ' A' ' 56' ' ' PRO . 12.2 p -166.74 88.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.018 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -100.32 117.35 45.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.632 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -143.12 127.43 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.59 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 0.5 OUTLIER -78.0 42.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.974 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.6 t -66.2 163.1 18.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.483 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 14.6 ptmt -118.51 122.41 42.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.828 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.12 104.02 16.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.929 HG12 HG11 ' A' ' 78' ' ' VAL . 3.5 m -107.27 -35.92 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.524 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -114.51 161.5 17.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -146.01 -172.52 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.943 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.646 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.7 ttpt -156.85 119.75 4.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.478 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 3.4 tt0 -79.84 94.76 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.712 HG23 ' CD ' ' A' ' 42' ' ' ARG . 10.7 m -102.79 84.64 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.72 150.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.529 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -136.89 23.22 3.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.23 -170.79 25.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.1 m-80 -84.14 164.0 19.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.769 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.6 t70 -95.28 -161.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.774 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.47 0.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.46 -1.58 21.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.76 -8.83 76.37 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.534 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.4 p-10 -79.63 154.04 76.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.98 130.0 12.88 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.529 HG21 ' OG ' ' A' ' 31' ' ' SER . 61.0 mt -72.82 -90.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 18.7 ttmt 66.72 123.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.712 ' CD ' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.06 70.48 1.46 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.946 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -37.79 154.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.783 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.0 mm100 -94.72 -179.81 5.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 1.056 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.25 68.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.524 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.2 tt0 -63.13 68.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.974 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -67.58 -174.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.598 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -122.39 6.92 9.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.215 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.9 mm100 41.49 106.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -114.71 -35.69 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' O ' ' HB ' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -141.07 159.59 41.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.446 ' HA ' HG22 ' A' ' 19' ' ' ILE . 9.8 ptm -142.82 65.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.703 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 20.3 m-85 -37.63 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -121.87 76.55 1.29 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.39 -165.95 12.0 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.697 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.97 -171.1 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.759 . . . . 0.0 111.052 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -95.1 -33.41 12.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -72.41 -77.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.616 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.5 t70 145.35 164.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.733 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -105.31 -79.26 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.49 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 73.79 -10.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -139.86 94.73 2.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.054 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -102.66 168.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.783 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 5.9 m-85 -122.2 158.82 28.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' THR . . . . . 1.056 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.9 t -174.48 -162.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.467 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.09 153.43 38.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.946 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.09 -175.77 2.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.3 -166.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.021 -179.933 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.768 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 8.1 p -59.85 -33.88 72.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 149.68 111.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.371 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.594 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -117.4 -39.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.688 ' HA ' HD22 ' A' ' 100' ' ' LEU . 13.3 m -126.01 16.4 7.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 108.289 179.945 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.576 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -157.17 -154.72 7.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.082 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.846 HG23 HD12 ' A' ' 104' ' ' ILE . 90.6 t -115.68 -1.79 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 32.75 86.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.031 179.959 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.037 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -104.16 130.61 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.933 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.57 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -117.09 -4.41 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.069 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 74.74 -50.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 179.945 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.28 -13.78 1.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.551 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.02 -35.79 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.551 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -103.61 -98.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.358 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.069 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.78 -81.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.555 ' O ' ' O ' ' A' ' 106' ' ' PRO . 7.2 mp0 -147.56 153.26 39.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.418 1.074 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.141 ' CD1' HD13 ' A' ' 86' ' ' ILE . 3.2 p90 -137.98 153.22 49.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.75 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.16 4.77 25.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.141 HD13 ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 8.86 102.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.066 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.94 108.09 10.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.539 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.16 174.37 23.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.63 -37.39 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 83.86 175.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.539 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.0 tp10 -133.9 4.62 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.83 -122.86 3.87 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.494 1.121 . . . . 0.0 111.062 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.02 143.45 50.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 0.806 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.22 -3.38 62.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.576 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.95 143.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 0.798 . . . . 0.0 109.295 -179.941 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.733 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -146.83 -168.93 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.2 127.6 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.614 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.054 HD13 HG21 ' A' ' 63' ' ' ILE . 4.6 pt -140.45 136.75 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.538 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.1 p -135.44 166.35 23.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.688 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -59.23 -43.23 92.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -64.57 -32.5 74.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.2 t0 -73.82 166.53 23.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.066 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.93 118.58 13.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.846 HD12 HG23 ' A' ' 74' ' ' VAL . 6.5 pt -164.15 136.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.579 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -157.5 156.71 29.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.592 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.9 10.92 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.553 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 10.2 t90 71.67 -59.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.667 ' O ' HG23 ' A' ' 109' ' ' THR . 32.8 t0 -69.84 52.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.678 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 p -159.15 -55.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.02 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.2 mt 9.4 -107.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.657 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 145.86 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.61 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.86 -63.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.55 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.5 m -49.97 -22.23 1.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.02 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.8 mp0 -88.79 -38.51 14.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.616 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -66.28 -40.12 89.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.946 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.55 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.94 -14.75 37.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.938 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.606 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.1 -11.43 22.89 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.952 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.703 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -85.73 -0.19 54.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -75.45 -60.79 2.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.61 ' HB2' ' HG2' ' A' ' 124' ' ' MET . 1.9 m80 -65.46 -102.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.596 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.437 ' C ' ' HG2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -157.11 -76.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.069 . . . . 0.0 110.344 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 11.9 p90 -130.74 13.07 5.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.8 OUTLIER -169.26 74.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.61 ' HG2' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -67.46 54.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 44.91 23.95 0.68 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.634 1.209 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.471 ' HB3' ' NE2' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -62.99 -168.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.409 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 13.1 tt0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.902 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 52.6 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 46.03 22.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.465 ' H ' HD21 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -71.23 163.61 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.313 179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -100.2 107.71 48.78 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -74.98 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.425 1.75 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.72 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.7 p -141.87 -134.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.72 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.77 95.91 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.589 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.484 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -75.01 -30.48 7.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.55 1.816 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.877 HE21 ' HB2' ' A' ' 126' ' ' CYS . 2.5 tp60 -115.12 -34.56 4.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.2 OUTLIER -62.17 -10.92 11.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.775 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.21 -36.3 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -88.62 -2.53 58.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 15.0 m -105.16 -12.81 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 108.336 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -98.58 -43.79 6.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.607 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.21 171.25 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' GLY . 19.4 m-20 -148.68 14.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.608 1.192 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.793 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 2.5 p -165.6 88.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.986 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -98.59 117.68 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.925 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.554 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -140.63 126.65 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.612 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 12.3 mtp180 -77.52 35.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.881 HG21 HD12 ' A' ' 47' ' ' ILE . 2.1 t -56.52 173.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.576 ' HE2' HG11 ' A' ' 78' ' ' VAL . 17.0 ptmt -129.05 118.05 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.907 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.48 100.07 12.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.526 HG13 ' HE2' ' A' ' 22' ' ' LYS . 2.5 m -101.78 -35.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.478 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.4 t -116.35 162.99 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.947 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -148.31 -174.45 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.4 ttpt -153.5 113.11 3.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.486 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.3 tt0 -74.23 94.99 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.547 HG13 ' HG2' ' A' ' 27' ' ' LYS . 15.3 m -103.45 80.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.89 139.31 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.526 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.8 t -124.6 32.63 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.34 -170.13 4.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.5 m-20 -84.17 165.83 18.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -95.72 -162.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.786 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -79.82 1.06 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -108.25 -1.59 20.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.25 -8.85 77.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -77.97 153.26 80.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.96 129.3 12.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 0.0 111.027 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 31' ' ' SER . 36.5 mt -73.64 -95.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.512 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 17.5 ttmt 72.98 120.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.312 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.474 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -125.94 66.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.698 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.3 mp -37.69 146.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.749 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.7 mm100 -88.03 179.15 6.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.914 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.871 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.34 69.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.044 -179.933 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.0 tt0 -64.56 66.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.937 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.99 HD11 ' O ' ' A' ' 60' ' ' ILE . 2.2 pt -63.76 -172.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -124.98 -1.61 7.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.48 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.74 119.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.343 -179.921 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.558 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -126.86 -31.18 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.475 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.36 168.26 26.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.51 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -146.24 67.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.103 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -36.47 -78.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.753 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -125.18 57.72 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.57 -169.07 19.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.637 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.05 -176.12 2.72 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.409 1.742 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.02 -37.69 58.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.589 1.181 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -77.97 -85.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 0.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.8 t70 152.4 168.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.99 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -119.48 73.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -68.8 -5.73 22.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 3.4 m-85 -132.86 91.99 2.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.993 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -98.1 166.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.749 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.7 m-85 -121.57 146.19 47.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.093 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.746 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.1 t -161.82 -168.17 1.87 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.701 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.85 148.82 37.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.698 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -75.04 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.566 1.824 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.471 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.9 OUTLIER 59.98 -171.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.7 p -69.74 55.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.711 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 55.29 92.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -98.81 -40.53 9.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.902 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 39.4 m -124.56 17.95 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 108.322 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.711 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -157.27 -153.64 6.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.93 HG23 HD12 ' A' ' 104' ' ' ILE . 89.7 t -116.22 -0.94 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 0.0 109.213 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.593 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 28.07 81.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.002 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.43 133.12 49.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.514 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -108.63 -6.98 15.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 82' ' ' LYS . 5.7 t 69.28 -56.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.504 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -49.18 -12.36 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -119.48 -23.93 3.02 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.514 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -110.66 -90.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.228 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.66 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 169.69 -88.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.547 ' O ' ' O ' ' A' ' 106' ' ' PRO . 6.7 mp0 -151.89 145.06 24.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.14 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -122.18 155.26 36.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.722 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -85.35 3.32 40.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 -179.884 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.14 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.21 104.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.068 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.42 113.38 16.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.61 175.7 22.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.117 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.573 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -57.66 -17.45 14.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.787 . . . . 0.0 109.344 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.793 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 75.92 176.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.218 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -121.71 -42.08 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 155.69 53.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.436 1.085 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.553 ' C ' ' H ' ' A' ' 95' ' ' LYS . 3.6 m-20 56.87 154.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 0.727 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.02 -10.82 0.74 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.766 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -175.49 143.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.921 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -144.89 -172.84 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.933 -179.93 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -124.39 128.96 49.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.532 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.993 HD13 HG21 ' A' ' 63' ' ' ILE . 4.4 pt -140.42 136.42 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -137.72 164.03 29.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.568 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -58.44 -43.71 88.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -31.86 73.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.093 . . . . 0.0 108.307 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.475 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.8 t0 -75.63 175.49 8.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.068 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -77.94 116.51 18.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.93 HD12 HG23 ' A' ' 74' ' ' VAL . 6.2 pt -164.44 133.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.664 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.24 156.82 32.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.604 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.02 11.24 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.456 1.766 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.603 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.6 t90 71.08 -59.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.022 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.654 ' O ' HG23 ' A' ' 109' ' ' THR . 30.6 t0 -69.56 52.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.675 ' O ' ' C ' ' A' ' 110' ' ' LEU . 3.4 p -158.69 -55.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.042 HD22 ' HB3' ' A' ' 114' ' ' GLN . 55.7 mt 10.66 -107.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 147.05 -41.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.618 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.06 -58.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.583 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 37.2 m -54.6 -23.88 18.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.042 ' HB3' HD22 ' A' ' 110' ' ' LEU . 2.7 mp0 -86.14 -36.19 19.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.589 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -68.11 -39.07 82.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.947 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.583 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 2.0 pttt -63.93 -16.48 61.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.707 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.48 -5.83 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.988 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.103 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 29.1 mt -76.65 -26.92 55.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.433 ' O ' ' NH1' ' A' ' 121' ' ' ARG . 10.7 p30 -104.86 9.52 34.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.546 ' ND1' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -92.69 25.61 3.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.553 179.968 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.44 ' N ' ' HD3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER 49.85 -91.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.785 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 6.4 p90 -151.95 96.3 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.532 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 1.7 tt0 54.84 61.07 3.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.33 58.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 52.16 25.9 19.28 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.424 1.078 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.877 ' HB2' HE21 ' A' ' 9' ' ' GLN . 0.7 OUTLIER -56.73 -170.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.979 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.963 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 51.3 m . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 54.63 16.22 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.458 ' H ' HD21 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -69.09 172.12 7.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 108.327 -179.958 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.8 p -108.03 108.21 61.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.88 126.06 9.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.811 . . . . 0.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.751 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.3 p -152.57 -134.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.751 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.9 p80 37.39 87.03 0.12 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.57 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 0.6 8.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.566 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -135.68 -44.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -62.11 -7.6 4.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.917 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.807 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.73 -33.9 27.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.207 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.857 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 m-85 -92.39 7.17 44.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.47 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 4.0 m -116.66 -9.35 11.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.506 1.129 . . . . 0.0 108.342 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.11 -40.26 6.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.641 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.31 169.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -145.02 11.59 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.082 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 88' ' ' GLY . 6.7 p -164.72 92.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.983 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.71 116.19 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.54 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -141.46 127.02 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.612 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 16.4 mtp180 -77.19 36.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.847 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.1 t -58.1 169.11 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.346 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HG2' HG22 ' A' ' 50' ' ' ILE . 15.3 ptmt -125.41 120.47 31.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.829 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.44 108.46 19.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.787 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -110.53 -34.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.468 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.6 t -119.76 162.73 18.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 4.1 mp0 -145.74 -173.98 4.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.67 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.6 ttpt -153.3 116.52 4.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.48 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 9.2 tt0 -76.8 92.53 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.528 HG13 ' HG2' ' A' ' 27' ' ' LYS . 23.2 m -103.42 112.17 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -59.65 149.74 29.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.479 ' OG ' HG21 ' A' ' 40' ' ' ILE . 2.1 t -134.53 16.29 3.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.39 175.24 36.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.436 1.085 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.549 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -82.77 161.29 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -95.17 -162.73 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.782 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -78.77 -1.39 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.515 ' CD1' ' OD1' ' A' ' 38' ' ' ASN . 27.0 t80 -98.63 -17.36 18.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.65 -8.65 56.62 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.566 1.166 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.549 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -85.01 154.43 60.68 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.528 0.781 . . . . 0.0 109.373 179.972 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.99 130.25 13.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.479 HG21 ' OG ' ' A' ' 31' ' ' SER . 92.3 mt -64.14 -77.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.628 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.5 tppt? 69.0 123.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 179.934 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.481 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -129.36 67.65 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.93 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.97 148.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.761 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.5 mm100 -90.28 179.36 5.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 1.06 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.4 OUTLIER -136.32 69.25 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 13.7 tt0 -64.37 68.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.916 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.6 pt -64.24 -169.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.576 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.5 ttpt -127.8 5.26 6.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.576 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 48.32 113.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.502 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -122.06 -30.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.968 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.449 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.28 167.14 29.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.459 ' HA ' HG22 ' A' ' 19' ' ' ILE . 2.4 ptt? -146.23 68.37 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.057 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -37.76 -80.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.94 -179.883 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.628 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -126.18 72.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -125.96 -164.14 11.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.459 1.099 . . . . 0.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.617 ' HG3' HD11 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 -174.44 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.771 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.57 -38.18 40.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 1.5 tpmt? -77.24 -85.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.5 t70 154.12 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.368 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.989 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.6 OUTLIER -119.83 71.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -68.58 -5.98 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 3.1 m-85 -131.8 90.81 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.988 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -97.68 166.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.761 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 6.1 m-85 -121.01 152.47 38.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 65' ' ' THR . . . . . 1.06 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.9 t -166.56 -162.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.568 1.167 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.825 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -104.88 152.7 39.61 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.93 ' HB3' HD13 ' A' ' 43' ' ' ILE . 17.9 Cg_endo -75.11 -161.19 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.68 -160.3 0.3 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.718 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 87.3 p -83.24 30.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 87.31 95.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.264 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.545 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -107.59 -38.39 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.963 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 14.7 m -122.88 14.22 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.54 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.65 -153.12 6.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.874 HG23 HD12 ' A' ' 104' ' ' ILE . 74.2 t -115.67 0.31 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.744 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.587 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 5.0 p 33.07 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.954 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.979 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -110.78 134.27 52.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 1.1 p30 -126.09 2.62 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.024 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.5 t 69.98 -55.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -53.24 -11.85 1.78 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -119.75 -30.73 1.45 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -110.33 -93.79 0.43 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.024 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 162.74 -81.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.519 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -149.01 160.34 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.125 ' CG ' HD13 ' A' ' 86' ' ' ILE . 3.4 p90 -148.39 152.14 36.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.748 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.35 2.16 33.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.125 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.91 101.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 -179.928 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.06 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.52 107.71 10.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.222 -179.924 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.656 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -158.17 154.52 25.6 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.1 OUTLIER -37.37 97.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 109.364 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.514 ' HA ' ' CB ' ' A' ' 96' ' ' MET . . . -50.47 178.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 25.1 tt0 -115.04 -34.53 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 151.56 49.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.517 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 13.0 m-20 57.81 149.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 0.782 . . . . 0.0 109.23 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.613 ' H ' HD13 ' A' ' 60' ' ' ILE . . . 70.5 -5.62 6.98 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.815 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -178.4 141.54 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 0.713 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.989 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -146.75 -172.34 3.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 111.037 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.63 128.0 48.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.034 HD12 HG13 ' A' ' 86' ' ' ILE . 3.2 pt -139.83 134.82 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -135.13 164.87 26.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.412 1.07 . . . . 0.0 110.409 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.631 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -57.87 -43.15 85.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -32.75 74.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.441 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.2 t70 -74.0 168.07 20.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.376 179.915 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.06 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -71.79 118.2 14.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.967 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.874 HD12 HG23 ' A' ' 74' ' ' VAL . 6.0 pt -164.63 135.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.669 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.4 156.54 31.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.589 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.93 9.62 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.428 1.752 . . . . 0.0 111.054 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.567 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 12.0 t90 72.96 -59.56 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 108.028 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 109' ' ' THR . 33.0 t70 -69.19 52.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.236 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.681 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.9 p -159.12 -57.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.031 HD22 ' HB3' ' A' ' 114' ' ' GLN . 44.6 mt 11.0 -107.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.238 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.18 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.18 -66.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.481 ' N ' HG22 ' A' ' 112' ' ' THR . 11.2 m -47.84 -25.1 1.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.463 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.031 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.0 mp0 -85.58 -35.28 21.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.582 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.13 -40.55 74.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.566 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.47 -21.02 65.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.661 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.24 -14.51 30.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.057 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 37.2 mt -68.81 -31.38 70.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -36.36 64.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.571 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 1.6 m-70 -60.41 109.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.589 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -32.24 -48.41 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.957 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.782 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.2 OUTLIER 175.28 107.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.47 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 48.34 56.56 7.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.571 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -71.82 54.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 0.0 110.958 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 56.3 25.63 48.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.433 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -56.49 -167.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 179.959 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.883 ' H1 ' ' HA ' ' A' ' 72' ' ' CYS . 12.8 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 54.51 13.63 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.446 1.091 . . . . 0.0 110.019 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 1' ' ' CYS . 3.1 m -66.75 170.33 6.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.348 179.946 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -103.54 111.49 65.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.065 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.96 120.55 6.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.725 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -147.39 -133.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.725 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.4 p80 37.08 83.46 0.2 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.574 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' O ' HG22 ' A' ' 113' ' ' THR . 18.7 Cg_endo -74.94 3.56 5.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.55 1.816 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.546 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -140.32 -43.65 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.336 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.0 mt-30 -65.19 -4.14 4.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.793 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.36 -37.07 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.871 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.4 m-85 -85.98 -10.28 55.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.3 m -97.61 -15.06 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 108.306 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.82 -43.77 7.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.587 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.21 170.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER -149.46 13.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.856 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 3.3 p -164.93 87.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.958 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -98.45 121.27 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.57 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.42 126.02 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.673 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.0 mtp180 -77.7 39.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.236 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.989 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.14 166.2 3.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 15.7 ptmt -120.97 121.3 37.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.828 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.91 102.28 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.913 HG12 HG11 ' A' ' 78' ' ' VAL . 3.8 m -105.83 -35.05 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -116.39 162.11 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.103 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.4 mp0 -144.13 -175.19 4.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.693 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.3 ttpt -154.87 113.8 3.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 7.6 tt0 -74.73 92.08 2.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.559 HG13 ' HG2' ' A' ' 27' ' ' LYS . 4.9 m -97.79 96.56 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.497 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -46.72 146.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.665 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -134.82 18.48 3.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.62 -175.05 27.02 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.9 m-20 -84.22 166.13 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.0 t0 -96.16 -162.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.783 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -79.88 1.38 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -109.11 -0.61 19.31 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.61 -9.58 73.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -77.67 154.19 81.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.08 130.28 13.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.665 HG21 ' OG ' ' A' ' 31' ' ' SER . 48.4 mt -71.83 -83.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.552 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.32 123.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.463 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -128.43 68.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.972 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.958 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.5 145.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.693 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.5 mm100 -89.5 -178.44 5.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 1.043 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.98 68.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.3 tt0 -62.34 69.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.989 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.1 pt -68.0 -172.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.575 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.8 ttpt -124.28 7.81 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.575 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.0 mm100 39.37 103.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.496 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -111.24 -33.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.536 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -144.24 162.01 37.46 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.49 ' HA ' HG22 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -142.26 69.89 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.105 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -36.74 -78.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.951 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.59 ' HB3' HG23 ' A' ' 18' ' ' VAL . 8.2 tptp -128.53 70.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -116.33 -164.4 13.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.651 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -74.97 -168.03 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -95.49 -34.77 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.43 -79.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.591 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.4 t70 148.42 163.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.709 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -104.17 -80.06 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.512 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 74.09 -7.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 110.328 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.536 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -141.68 93.74 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -100.3 170.22 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.594 1.184 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.683 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -124.27 160.01 28.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 65' ' ' THR . . . . . 1.043 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.9 t -174.54 -162.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.646 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -109.61 153.63 42.82 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.958 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -74.98 -160.7 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 62.59 -163.7 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.932 179.922 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.581 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 39.7 p -79.29 39.93 0.41 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.725 ' HB2' ' HB3' ' A' ' 75' ' ' SER . . . 75.87 97.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.566 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -107.48 -36.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.883 ' HA ' ' H1 ' ' A' ' 1' ' ' CYS . 17.1 m -127.09 18.27 7.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.933 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.539 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -157.12 -155.91 7.67 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.001 HG23 HD12 ' A' ' 104' ' ' ILE . 47.6 t -116.51 10.18 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.725 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 0.0 OUTLIER 22.95 88.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.003 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -107.76 128.76 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.601 1.188 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.571 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -117.39 -8.04 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.95 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.2 t 75.21 -34.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.31 -9.83 25.42 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.489 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -127.01 -37.59 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.556 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -94.66 -100.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.95 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.07 -68.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.208 179.973 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.543 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -159.86 163.36 34.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.155 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.5 p90 -146.97 153.12 39.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.715 HD11 HG23 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -84.37 3.86 33.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.155 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 8.99 102.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.078 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -124.78 110.97 14.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.616 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.15 -178.68 17.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.08 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.8 mttt -59.94 -19.05 49.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.856 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 75.88 -178.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.503 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 42.2 tt0 -125.77 -41.69 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.55 53.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 95' ' ' LYS . 12.6 t70 57.03 154.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 0.76 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.497 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 65.21 -4.82 1.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.709 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -179.65 144.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.759 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -147.43 -170.83 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.928 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.683 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -130.7 126.32 36.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.6 179.999 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.006 HD13 HG21 ' A' ' 63' ' ' ILE . 9.3 pt -134.58 140.86 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.669 ' O ' HD11 ' A' ' 104' ' ' ILE . 2.2 p -138.23 159.61 41.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.621 ' CD2' ' H1 ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER -60.96 -22.47 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -28.8 27.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.446 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 21.1 t0 -81.31 172.73 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.078 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.8 118.23 14.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.001 HD12 HG23 ' A' ' 74' ' ' VAL . 4.9 pt -164.73 137.04 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.715 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.49 157.89 31.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.61 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.06 10.85 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.673 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.0 t90 71.51 -60.36 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.639 ' O ' HG23 ' A' ' 109' ' ' THR . 38.2 t70 -70.01 52.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.674 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.7 p -158.16 -58.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.918 HD22 ' HB3' ' A' ' 114' ' ' GLN . 51.9 mt 13.06 -107.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 146.56 -41.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.59 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.43 -65.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.498 ' N ' HG22 ' A' ' 112' ' ' THR . 24.5 m -49.48 -28.04 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.918 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.9 mp0 -82.32 -31.26 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.311 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.551 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -75.0 -41.99 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.546 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -61.55 -20.26 63.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.682 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.38 -10.37 41.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 110.017 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.105 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 49.6 mt -74.51 -28.01 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -98.93 7.02 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.524 ' CE1' ' HA ' ' A' ' 122' ' ' TYR . 0.0 OUTLIER -77.77 0.2 24.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.574 -179.954 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.75 -56.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.227 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.524 ' HA ' ' CE1' ' A' ' 120' ' ' HIS . 7.3 t80 175.17 95.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.063 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.48 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 1.7 tt0 47.25 56.0 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.612 1.195 . . . . 0.0 110.37 -179.907 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.97 55.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 58.45 21.89 50.07 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.41 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -58.58 -167.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.968 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.404 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 2.8 tm-20 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.549 ' SG ' HG23 ' A' ' 71' ' ' VAL . 1.6 p . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 163.82 42.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.76 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -66.12 -178.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 179.985 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.9 p -135.23 130.04 19.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -74.96 127.65 10.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.436 1.756 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.756 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.6 p -146.4 -133.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.756 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 33.33 88.3 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.614 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.683 ' O ' HG22 ' A' ' 113' ' ' THR . 18.5 Cg_endo -74.88 3.12 5.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.549 1.815 . . . . 0.0 111.046 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.582 HE21 ' CB ' ' A' ' 126' ' ' CYS . 45.0 tp60 -141.35 -45.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 6.5 mt-30 -63.78 -5.61 4.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.807 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.63 -37.97 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.873 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -87.3 3.21 47.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.431 1.082 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 1.7 m -112.5 -15.55 13.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 -179.935 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.1 -36.99 10.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.583 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.03 172.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -150.17 13.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.715 HG23 ' HD3' ' A' ' 56' ' ' PRO . 11.5 p -167.31 91.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.012 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -101.16 119.26 49.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.621 HG22 ' HG3' ' A' ' 52' ' ' MET . 1.0 OUTLIER -145.17 126.16 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.653 ' HD2' HD11 ' A' ' 50' ' ' ILE . 1.4 ttm180 -77.55 38.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.586 1.179 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.987 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.67 166.31 4.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.454 1.096 . . . . 0.0 110.488 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 13.9 ptmt -120.63 121.25 37.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.84 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.54 104.79 16.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.913 HG12 HG11 ' A' ' 78' ' ' VAL . 4.4 m -108.95 -34.18 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -116.69 166.51 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -149.56 179.84 7.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.663 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.7 ttpt -147.34 113.17 5.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.5 tt0 -74.33 90.83 2.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.379 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.595 HG13 ' HG2' ' A' ' 27' ' ' LYS . 10.8 m -98.07 94.6 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.507 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -44.32 147.25 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.663 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -134.67 17.74 3.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.75 -175.4 26.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.107 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 9.6 m-80 -84.45 165.89 17.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.78 -161.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.786 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.84 0.32 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -107.9 -0.41 21.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.14 -8.3 77.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -78.51 153.09 78.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -74.98 129.58 12.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.405 1.739 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.663 HG21 ' OG ' ' A' ' 31' ' ' SER . 48.8 mt -70.81 -82.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.554 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 68.69 123.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 29' ' ' VAL . 1.5 ptt180 -128.75 68.82 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.945 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -42.44 142.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.4 mm100 -85.36 -176.34 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.343 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.933 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -138.28 70.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.2 tt0 -63.39 68.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.987 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.1 pt -66.71 -172.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.594 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.4 ttpt -123.63 10.91 9.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.8 mm100 35.79 101.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.653 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -111.25 -32.77 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -142.12 160.28 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.621 ' HG3' HG22 ' A' ' 19' ' ' ILE . 31.8 ttm -142.05 67.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.695 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 14.8 m-85 -39.45 -82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.537 ' C ' ' CE ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -123.67 76.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.411 ' N ' ' HE3' ' A' ' 54' ' ' LYS . . . -124.47 -162.89 11.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.715 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.0 Cg_endo -75.02 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -99.4 -34.34 10.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.311 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -72.97 -79.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.93 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.611 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.7 t70 149.57 165.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.621 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -106.94 -79.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.497 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 74.36 -9.21 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.583 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -144.12 94.71 2.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.955 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.976 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -98.02 171.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.945 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.65 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -122.57 151.68 41.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.832 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.5 t -168.36 -162.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.627 ' HB1' HG22 ' A' ' 71' ' ' VAL . . . -107.99 153.3 41.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.945 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.04 -158.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.498 1.789 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 53.96 -170.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 110.025 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -71.03 53.09 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.592 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 61.78 102.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.765 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -110.32 -27.65 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.765 ' SG ' HG23 ' A' ' 71' ' ' VAL . 8.5 m -137.46 13.87 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 108.317 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.592 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -152.39 -152.71 6.03 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.968 HG23 HD12 ' A' ' 104' ' ' ILE . 50.6 t -114.68 3.14 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.237 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 74' ' ' VAL . 60.4 p 28.09 83.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.059 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.147 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.09 138.1 41.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.466 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.3 OUTLIER -126.73 0.53 6.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.02 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.2 t 70.93 -54.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.348 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.21 -12.63 1.43 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.443 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.25 -29.33 1.97 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.518 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -111.31 -93.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.02 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 163.71 -73.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -155.78 164.05 39.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.147 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.3 p90 -150.33 152.36 34.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 1.136 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.74 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.38 3.91 29.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.133 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.68 101.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.042 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.46 106.75 9.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.688 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -160.38 155.55 26.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -35.0 95.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 0.709 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.666 ' HB2' ' HB ' ' A' ' 17' ' ' VAL . . . -55.77 174.72 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.502 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 22.3 tp10 -118.6 -2.76 10.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 141.37 -109.98 0.62 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 0.0 111.063 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.505 ' OD1' ' CB ' ' A' ' 56' ' ' PRO . 77.1 m-20 -143.49 133.63 24.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.501 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 87.89 -4.37 85.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.6 141.66 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.755 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.45 -169.75 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.91 133.69 52.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.976 HD13 HG21 ' A' ' 63' ' ' ILE . 15.9 pt -145.28 137.41 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.628 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.8 OUTLIER -135.77 159.34 41.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.76 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER -55.49 -44.52 76.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.433 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -63.11 -32.34 73.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.476 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.4 t0 -74.11 168.2 20.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.042 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.96 119.28 14.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.968 HD12 HG23 ' A' ' 74' ' ' VAL . 3.4 pt -166.41 135.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.675 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.96 157.46 31.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.585 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 10.18 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.447 1.762 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 10.1 t90 72.88 -60.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.666 ' O ' HG23 ' A' ' 109' ' ' THR . 25.2 t70 -69.44 53.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 3.3 p -159.11 -56.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.99 HD22 ' HB3' ' A' ' 114' ' ' GLN . 65.3 mt 11.69 -106.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.66 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 145.45 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.614 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.62 -63.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.35 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 8' ' ' PRO . 6.0 m -50.34 -24.74 3.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.99 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.8 mp0 -85.74 -38.49 18.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.561 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -65.33 -40.6 93.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.612 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -60.76 -20.56 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.73 -10.38 40.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.057 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.695 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -87.44 7.21 30.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.409 ' HB2' ' SD ' ' A' ' 124' ' ' MET . 19.2 m-80 -81.41 -72.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.666 ' CB ' ' HG2' ' A' ' 124' ' ' MET . 8.9 t60 -55.09 -102.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.607 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 120' ' ' HIS . 8.4 mtm180 -149.99 -80.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.497 ' HB3' ' CG ' ' A' ' 54' ' ' LYS . 11.8 p90 -132.17 11.63 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.0 OUTLIER -162.72 74.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.666 ' HG2' ' CB ' ' A' ' 120' ' ' HIS . 2.7 mmm -68.13 55.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 41.42 26.22 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.132 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.582 ' CB ' HE21 ' A' ' 9' ' ' GLN . 0.6 OUTLIER -68.47 -161.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 180.0 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.517 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 5.1 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.633 ' SG ' HG23 ' A' ' 71' ' ' VAL . 3.2 p . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.3 OUTLIER 158.81 64.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -95.43 158.54 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.281 179.993 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.417 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 19.4 p -92.47 121.37 66.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.999 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.466 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.04 121.36 6.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.579 1.831 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.759 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.8 p -148.4 -134.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.759 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.9 OUTLIER 35.48 89.22 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HB2' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.08 -31.36 6.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.553 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -96.62 -41.29 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.501 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -67.53 -6.34 19.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.763 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.49 -36.36 22.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.856 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.8 m-85 -89.78 2.07 55.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.491 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 1.2 m -110.73 -11.4 14.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -102.37 -42.17 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.556 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.23 171.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.48 15.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.852 HG21 ' SD ' ' A' ' 96' ' ' MET . 11.9 p -165.5 86.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.915 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.998 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -98.48 117.73 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.577 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -143.24 124.71 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.662 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.7 ttp180 -76.57 40.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.957 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.6 t -63.57 171.58 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.49 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 13.7 ptmt -125.08 120.53 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.862 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.7 102.69 14.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.901 HG12 HG11 ' A' ' 78' ' ' VAL . 3.4 m -105.23 -35.44 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.405 1.066 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -115.94 166.29 12.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.95 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.2 mp0 -150.56 -179.24 7.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.927 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -145.49 113.88 6.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.427 ' CG ' ' HE3' ' A' ' 41' ' ' LYS . 3.0 tt0 -74.38 93.0 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.543 HG13 ' HG2' ' A' ' 27' ' ' LYS . 27.4 m -106.42 122.64 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.241 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.54 160.89 18.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.563 ' OG ' HG21 ' A' ' 40' ' ' ILE . 2.2 t -148.16 19.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.601 1.188 . . . . 0.0 109.957 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.53 177.9 42.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.519 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 9.3 m-20 -85.19 164.5 18.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.2 t70 -95.72 -162.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.757 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.0 mp -79.7 0.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.31 -1.06 20.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.56 -8.74 76.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.145 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.0 p-10 -78.68 153.39 78.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.08 129.97 12.76 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.406 1.74 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.563 HG21 ' OG ' ' A' ' 31' ' ' SER . 52.5 mt -64.17 -78.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.631 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.1 tppt? 69.95 126.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.512 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -131.37 66.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.94 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -39.51 141.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.672 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.2 mm100 -83.65 -177.94 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.95 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.81 70.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.7 tt0 -63.6 67.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.957 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.3 pt -66.57 -177.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.49 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -118.74 -4.17 10.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.51 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 12.8 mm100 55.79 117.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.451 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -124.09 -35.76 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' HG12 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -143.97 163.36 33.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.508 ' CE ' ' O ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -144.07 64.69 1.31 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 20.7 m-85 -39.39 -81.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.402 1.064 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.632 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -119.32 72.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.11 -166.92 12.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.721 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.04 -176.17 2.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.432 1.754 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -92.0 -32.6 15.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.666 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -71.91 -80.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.666 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.5 t70 149.27 163.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.712 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.3 mm -106.14 -79.07 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.394 1.059 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 75.64 -8.35 1.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -145.98 95.89 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.905 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -100.66 171.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -123.49 148.69 45.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.807 HG21 ' CE2' ' A' ' 45' ' ' TYR . 9.8 t -166.23 -165.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.569 1.168 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -99.61 154.52 37.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.94 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.02 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.517 1.798 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.04 -174.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.938 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.749 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 1.4 p -47.59 -44.65 26.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.051 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 158.11 105.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.694 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -108.84 -37.61 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.811 ' O ' HG22 ' A' ' 99' ' ' THR . 19.2 m -130.28 20.69 5.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 108.255 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.775 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -161.96 -156.12 8.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.768 HG23 ' CD1' ' A' ' 104' ' ' ILE . 69.9 t -115.66 -4.01 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 32.44 85.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.018 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.11 133.1 48.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.597 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -113.79 -9.49 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.961 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.057 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 76.88 -42.28 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -56.92 -11.7 6.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.488 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -121.31 -32.46 1.05 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.536 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.79 -98.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.057 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.11 -74.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.945 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 10.7 mp0 -151.65 161.15 43.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.149 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.8 p90 -145.37 153.4 41.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.802 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -83.0 2.83 32.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.149 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.28 99.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.052 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.18 107.77 11.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.599 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.01 165.94 26.11 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.711 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.5 tttm -39.47 -31.96 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.07 -178.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.585 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.0 tm-20 -136.0 -42.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.42 -146.33 8.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.515 ' O ' ' CE ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -102.43 125.71 49.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 87.75 -3.31 86.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -167.54 139.03 3.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.351 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.852 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -137.21 -157.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.521 ' ND1' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -143.36 124.1 14.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 -179.948 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.018 HD12 HG13 ' A' ' 86' ' ' ILE . 1.2 pt -138.6 143.29 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -141.04 164.52 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.719 HD22 ' HA ' ' A' ' 72' ' ' CYS . 1.2 pt? -58.94 -49.9 76.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.586 ' H ' HD23 ' A' ' 100' ' ' LEU . 5.4 t -62.76 -13.33 31.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 108.362 179.95 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.437 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.3 t0 -92.71 166.66 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.052 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.28 115.63 9.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.808 HG23 ' O ' ' A' ' 103' ' ' PHE . 5.9 pt -163.99 133.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.506 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -155.31 157.99 31.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.571 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 4.65 4.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.802 ' HD1' HD12 ' A' ' 85' ' ' LEU . 2.0 t90 77.97 -56.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.603 ' O ' HG23 ' A' ' 109' ' ' THR . 12.6 t0 -70.6 50.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.66 ' O ' ' C ' ' A' ' 110' ' ' LEU . 19.6 p -159.49 -60.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.66 ' C ' ' O ' ' A' ' 109' ' ' THR . 93.7 mt 16.28 -106.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.618 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.6 m 149.72 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.26 -68.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 110.446 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.539 ' N ' HG22 ' A' ' 112' ' ' THR . 1.1 m -47.71 -24.21 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.804 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -85.84 -32.84 21.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.509 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -71.43 -42.52 68.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.361 179.962 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.553 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.11 -21.16 64.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -87.45 -14.4 40.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -76.64 -15.83 59.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -75.08 -48.61 23.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.231 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.552 ' HB2' ' CG ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -55.23 154.7 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.635 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.54 ' O ' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -72.59 -45.38 59.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.576 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.1 OUTLIER -177.95 91.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.491 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 1.8 tt0 62.2 66.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.552 ' CG ' ' HB2' ' A' ' 120' ' ' HIS . 2.4 mmt -71.34 55.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 55.27 25.1 39.27 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.92 -169.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.955 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.708 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 77.3 m . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 60.81 12.41 3.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.37 164.83 20.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 108.325 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -103.43 109.76 62.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.962 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.06 127.43 10.64 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.774 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -154.58 -133.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.774 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.4 p80 39.92 86.67 0.13 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.607 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.482 ' O ' HG22 ' A' ' 113' ' ' THR . 18.6 Cg_endo -74.94 0.9 8.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.543 1.812 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.546 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -138.07 -42.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.2 mt-30 -64.83 -4.52 4.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.803 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.21 -37.37 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.871 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.4 m-85 -87.21 -1.76 58.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 -179.922 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.444 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 4.1 m -106.76 -15.38 14.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.06 -40.22 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.558 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -55.32 171.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.483 ' OD1' ' CZ ' ' A' ' 122' ' ' TYR . 1.4 m-20 -149.82 15.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 17' ' ' VAL . 7.3 p -166.77 89.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.984 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -101.14 119.51 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.678 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.01 125.28 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.653 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.7 mtp180 -76.38 37.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.833 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -58.56 169.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.53 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.9 ptmt -124.17 118.06 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.78 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.45 102.37 14.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.934 HG12 HG11 ' A' ' 78' ' ' VAL . 8.6 m -107.23 -31.96 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -117.46 164.0 15.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.952 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.9 mp0 -148.99 -179.84 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.642 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.9 ttpt -145.82 112.97 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.59 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 4.2 tt0 -74.93 92.23 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.557 HG13 ' HG2' ' A' ' 27' ' ' LYS . 34.9 m -107.21 116.08 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.496 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.3 m-20 -56.91 161.34 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.617 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.4 t -146.59 18.02 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.957 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.42 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 77.15 177.88 46.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.514 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.3 m120 -84.46 163.77 19.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.773 . . . . 0.0 109.33 179.927 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.7 t0 -95.05 -161.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.784 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.19 0.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.8 -1.47 19.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.59 -9.0 77.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.8 p-10 -77.74 153.57 80.82 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.778 . . . . 0.0 109.369 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.1 129.52 12.33 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.617 HG21 ' OG ' ' A' ' 31' ' ' SER . 63.4 mt -64.99 -79.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.59 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.2 tppt? 69.25 126.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.489 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -130.61 69.35 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.01 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.99 140.48 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.642 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 5.9 mm100 -82.28 -179.25 7.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.994 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.34 67.8 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.617 1.198 . . . . 0.0 110.968 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 11.4 tt0 -62.72 72.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.833 HD12 ' CG2' ' A' ' 21' ' ' THR . 1.9 pt -67.85 -167.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.643 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.9 ttpt -132.41 10.34 4.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.232 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.643 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 42.76 110.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.53 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -118.88 -29.4 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.51 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -151.91 169.96 21.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.574 ' HG3' HG22 ' A' ' 19' ' ' ILE . 2.7 ttm -146.32 70.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.106 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -41.88 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.973 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HB3' HG23 ' A' ' 18' ' ' VAL . 19.3 tptt -128.14 73.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.08 -155.93 8.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.54 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.07 -170.6 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -89.09 -35.35 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.36 -80.31 0.17 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 153.86 171.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.664 HG21 ' HG2' ' A' ' 96' ' ' MET . 1.8 mm -98.31 -69.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 72.36 -9.41 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.355 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.563 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -146.2 99.31 3.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 111.005 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.074 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -105.22 172.16 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.782 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -127.24 150.6 49.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.77 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.7 t -166.14 -163.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.378 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.89 154.52 37.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.01 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.7 Cg_endo -74.99 -161.3 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.396 1.735 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.06 -172.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.733 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 3.7 p -47.92 -46.88 32.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 156.88 106.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.721 ' O ' HD22 ' A' ' 100' ' ' LEU . 1.1 m -109.33 -43.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.711 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 85.7 m -124.0 30.55 6.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.058 . . . . 0.0 108.311 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.658 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -171.22 -160.12 18.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.845 HG23 HD12 ' A' ' 104' ' ' ILE . 97.2 t -115.06 0.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.504 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 31.03 84.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.437 1.086 . . . . 0.0 110.023 -179.991 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.054 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.4 133.13 49.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.473 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -117.92 -2.27 11.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.962 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.59 -53.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.373 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.75 -15.58 0.33 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.911 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.467 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -117.28 -31.59 1.66 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.523 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -104.91 -94.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 0.728 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.962 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.9 -66.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.378 -179.965 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -163.28 168.66 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.163 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -152.22 154.05 35.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.753 HD11 HG23 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -84.48 2.78 39.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.163 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 11.16 101.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.364 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.063 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.61 106.98 9.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.547 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.31 173.2 23.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.583 1.177 . . . . 0.0 111.023 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.702 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.9 tttm -40.62 -40.86 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.76 175.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.53 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.1 tp10 -132.86 3.78 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.31 -121.27 3.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -130.65 144.72 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 74.61 -0.16 56.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.15 139.77 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.745 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.53 -170.38 3.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.946 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.782 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -130.16 128.78 42.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.646 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.074 HD13 HG21 ' A' ' 63' ' ' ILE . 2.7 pt -138.4 143.61 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.562 ' O ' HD11 ' A' ' 104' ' ' ILE . 2.2 p -140.15 167.55 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.721 HD22 ' O ' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -65.79 -33.6 76.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.906 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -24.57 61.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.426 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.0 t0 -84.95 169.6 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.063 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -71.37 119.27 15.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.86 HG22 ' HA ' ' A' ' 86' ' ' ILE . 7.1 pt -165.14 137.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.753 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.18 158.59 32.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.222 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.6 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 10.27 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.653 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.3 t90 72.02 -60.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.635 ' O ' HG23 ' A' ' 109' ' ' THR . 51.2 t0 -70.0 52.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.652 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.6 p -158.12 -59.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.874 HD22 ' HB3' ' A' ' 114' ' ' GLN . 57.9 mt 14.0 -107.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.942 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.641 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 146.69 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.25 -66.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.522 ' N ' HG22 ' A' ' 112' ' ' THR . 14.2 m -48.42 -27.58 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.874 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.0 mp0 -83.94 -30.02 26.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 110.249 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.496 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -75.62 -40.83 55.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.546 ' HE2' ' NE2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.14 -20.49 64.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.933 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.696 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -90.58 -13.04 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.015 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.106 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 50.2 mt -72.38 -29.96 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -39.6 63.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.672 ' HE2' ' H ' ' A' ' 123' ' ' GLN . 0.0 OUTLIER -62.43 128.74 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.607 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -41.95 -80.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.082 . . . . 0.0 110.33 179.964 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.566 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.4 OUTLIER -153.69 95.31 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.672 ' H ' ' HE2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER 63.36 65.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.453 ' HB2' ' HB2' ' A' ' 120' ' ' HIS . 2.8 mmt -70.86 53.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.94 21.44 16.82 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.945 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -167.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.941 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 1.036 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 63.2 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 57.91 11.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' H ' HD21 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -61.2 175.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 108.252 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.5 p -112.98 106.48 55.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.91 125.29 9.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.722 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.2 p -149.61 -132.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.722 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.7 OUTLIER 36.74 87.4 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.629 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.67 ' O ' HG22 ' A' ' 113' ' ' THR . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.808 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.503 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 8.6 tp-100 -138.91 -43.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.6 mt-30 -65.29 -4.75 5.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.825 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.43 -36.43 22.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.897 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -89.25 -1.56 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.68 -15.06 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 0.0 108.361 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.25 -39.93 9.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.549 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.57 172.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.02 15.77 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.931 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 3.5 p -165.64 87.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.004 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -100.26 119.96 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.582 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.95 123.22 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.75 ' HD2' HD11 ' A' ' 50' ' ' ILE . 2.1 ttm180 -75.7 39.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.414 1.072 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.916 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -60.39 172.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.569 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.8 ptmt -126.33 119.33 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.787 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.61 99.06 11.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.837 HG12 HG11 ' A' ' 78' ' ' VAL . 6.2 m -101.66 -35.72 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.488 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.6 t -115.09 164.24 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -146.72 -173.26 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.0 ttpt -153.09 119.04 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.39 1.056 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' C ' ' HZ2' ' A' ' 41' ' ' LYS . 6.2 tt0 -79.51 94.93 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.644 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 33.2 m -108.86 92.99 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.87 141.33 10.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.498 ' OG ' HG21 ' A' ' 40' ' ' ILE . 3.0 t -122.8 32.8 5.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.13 -171.45 0.58 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.547 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -86.19 164.79 17.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 0.811 . . . . 0.0 109.342 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.6 t0 -96.47 -160.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.771 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.5 1.93 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -107.64 -2.57 20.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.26 -6.86 82.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.547 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 11.7 p-10 -83.14 153.21 66.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.258 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 129.29 12.18 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.525 1.803 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.498 HG21 ' OG ' ' A' ' 31' ' ' SER . 65.3 mt -69.61 -80.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.99 ' HZ3' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER 71.77 121.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.541 ' N ' ' HE2' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -137.58 76.03 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 -179.995 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.99 HD12 ' HZ3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -49.89 153.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.746 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 5.6 mm100 -90.96 178.74 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.944 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.54 68.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.488 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.3 tt0 -63.25 71.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.916 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.2 pt -68.38 -168.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.605 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.7 ttpt -131.15 13.72 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 39.01 105.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.75 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -115.66 -27.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -151.62 161.61 42.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.473 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.05 78.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.969 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.776 ' CE2' HD22 ' A' ' 118' ' ' LEU . 10.7 m-85 -53.09 -69.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.846 ' HB3' HG23 ' A' ' 18' ' ' VAL . 3.8 tptt -133.25 165.18 25.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.538 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 126.31 -137.01 9.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 111.029 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.453 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.94 -167.84 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -112.3 -30.27 7.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.96 -78.31 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.3 t0 154.76 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.647 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -104.15 -72.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.8 mt-10 73.69 -9.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.314 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.544 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -146.24 97.99 3.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.547 1.154 . . . . 0.0 111.051 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.991 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -103.86 165.65 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.746 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 5.2 m-85 -120.68 146.03 46.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.92 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.901 HG21 ' CE2' ' A' ' 45' ' ' TYR . 10.1 t -164.65 -161.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.354 -179.93 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.659 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -105.61 146.13 32.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.968 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.03 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 65.92 -159.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.607 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 92.3 p -78.91 31.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.607 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 78.23 106.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.539 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -113.04 -38.98 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 1.036 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 14.2 m -124.26 14.33 8.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.56 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.42 -154.65 6.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.941 HG23 HD12 ' A' ' 104' ' ' ILE . 68.6 t -111.36 -2.7 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.607 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 16.4 p 34.53 80.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.094 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.24 130.89 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.59 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.65 -10.67 11.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.926 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.017 HG22 ' O ' ' A' ' 82' ' ' LYS . 2.1 t 74.51 -15.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.631 1.207 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -75.05 -7.87 82.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.489 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -133.15 -31.0 0.45 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.528 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -97.76 -99.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.017 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 167.41 -72.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 16.8 mp0 -154.62 162.4 41.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.233 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.144 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -143.93 152.52 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.81 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.32 3.02 33.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.144 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.89 102.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.019 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -131.18 103.09 6.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.517 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -157.89 166.3 33.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -37.88 97.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.931 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -63.52 174.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.4 tp10 -124.47 4.29 8.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.95 -120.43 2.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.1 133.8 41.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 88.28 -3.28 85.49 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.647 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.44 143.25 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.731 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -147.98 -169.65 3.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.48 131.32 51.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.6 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.991 HD13 HG21 ' A' ' 63' ' ' ILE . 7.8 pt -142.79 143.79 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.597 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.8 OUTLIER -142.09 162.76 34.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -58.74 -43.16 90.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -63.96 -31.97 73.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.289 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.43 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.8 t0 -75.13 167.57 21.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.019 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -70.78 119.66 15.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.941 HD12 HG23 ' A' ' 74' ' ' VAL . 5.0 pt -165.99 134.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.584 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.79 157.53 31.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.578 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 7.12 3.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.675 ' CZ3' ' CZ ' ' A' ' 20' ' ' ARG . 3.3 t90 75.47 -57.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.599 ' O ' HG23 ' A' ' 109' ' ' THR . 10.5 t70 -69.7 50.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.706 ' O ' ' C ' ' A' ' 110' ' ' LEU . 13.1 p -158.65 -52.16 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.924 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.986 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.0 mt 6.03 -107.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.651 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.46 -41.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.041 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.622 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.04 -63.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.379 179.942 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 8' ' ' PRO . 5.2 m -49.82 -21.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.342 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.986 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.8 mp0 -88.92 -40.12 13.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.767 ' HA ' HD12 ' A' ' 118' ' ' LEU . 1.4 mtmt -65.84 -37.97 87.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.648 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.22 -20.98 64.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.595 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -89.94 -20.59 23.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.776 HD22 ' CE2' ' A' ' 53' ' ' PHE . 1.3 mt -78.61 -0.87 31.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -74.87 -60.55 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.648 ' HB2' ' HG2' ' A' ' 124' ' ' MET . 4.1 m170 -63.84 -99.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.538 ' CD ' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -159.9 -77.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.295 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.431 ' HB3' ' HG2' ' A' ' 54' ' ' LYS . 29.7 p90 -129.22 3.75 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.0 OUTLIER -160.68 76.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 -179.969 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.648 ' HG2' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -67.1 55.6 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 111.014 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 40.29 27.77 0.16 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 9' ' ' GLN . 0.5 OUTLIER -66.86 -168.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.407 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 4.2 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 1.025 ' O ' HD21 ' A' ' 100' ' ' LEU . 42.5 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.562 ' HA ' HD11 ' A' ' 100' ' ' LEU . 8.5 p -64.11 67.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.996 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.545 ' N ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.28 167.66 15.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 108.315 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 53.4 p -84.44 121.99 75.14 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.95 69.63 5.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.707 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -83.18 -134.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.707 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.8 OUTLIER 39.38 95.58 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.623 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.499 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -75.03 -33.69 4.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.815 HE21 ' HB2' ' A' ' 126' ' ' CYS . 2.5 tp60 -113.73 -33.99 5.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 0.0 110.368 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.438 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -61.92 -11.32 12.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.236 -179.978 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.8 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.17 -36.74 24.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.876 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -88.3 0.01 56.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.453 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 3.6 m -108.32 -11.45 15.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 108.318 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -101.01 -41.44 6.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.229 -179.94 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.626 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.56 170.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.603 1.189 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -148.73 14.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.79 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 9.2 p -165.65 88.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.011 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.75 116.51 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.68 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -141.33 124.77 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.658 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.3 mtp180 -76.25 39.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.892 HG21 HD12 ' A' ' 47' ' ' ILE . 2.7 t -60.37 177.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.6 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.3 ptmt -132.75 119.49 20.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.807 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.01 99.12 11.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.881 HG12 HG11 ' A' ' 78' ' ' VAL . 2.8 m -100.48 -37.51 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.565 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -105.54 170.72 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.948 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.548 ' HG3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -155.32 151.54 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.281 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.701 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.5 ttpt -124.62 105.13 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 1.4 tt0 -72.41 90.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.945 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.512 HG13 ' HG2' ' A' ' 27' ' ' LYS . 27.0 m -101.68 126.09 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.517 ' CG ' ' HZ3' ' A' ' 41' ' ' LYS . 3.1 m-20 -68.24 159.42 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.605 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.8 t -144.72 18.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.63 -179.81 43.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.51 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 7.3 m-20 -85.33 164.19 18.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.18 -161.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.784 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.77 -0.49 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -107.27 -0.37 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.23 -8.24 77.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.418 1.074 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.51 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.68 153.09 78.28 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.6 Cg_endo -75.01 128.66 11.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.605 HG21 ' OG ' ' A' ' 31' ' ' SER . 47.4 mt -64.63 -79.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.634 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 11.9 tppt? 69.19 125.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.531 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -129.97 67.78 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.937 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -38.81 145.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.775 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 7.9 mm100 -91.05 -179.88 5.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.987 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.7 OUTLIER -136.4 69.05 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.178 . . . . 0.0 111.004 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.565 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.6 tt0 -62.93 68.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.892 HD12 HG21 ' A' ' 21' ' ' THR . 2.7 pt -64.88 -170.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -129.56 2.01 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.497 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.3 119.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.647 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -126.98 -27.93 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.53 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -157.36 169.23 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.524 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -145.33 66.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.952 -179.952 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.112 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -36.95 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.622 ' HB3' HG23 ' A' ' 18' ' ' VAL . 2.0 tptt -127.93 69.8 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.85 -157.06 9.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.708 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.98 -174.87 2.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -92.53 -32.84 14.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.347 179.929 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -77.57 -80.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 151.39 169.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.617 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.3 mm -102.38 -72.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.542 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 75.1 -7.76 1.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.593 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -149.24 102.61 3.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.911 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.056 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -108.44 164.37 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.775 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 4.4 m-85 -117.51 152.97 33.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.987 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.9 t -169.81 -160.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.742 ' HB1' HG22 ' A' ' 71' ' ' VAL . . . -104.32 155.1 37.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.937 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.06 -159.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.47 1.773 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.93 -174.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.784 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 2.1 t -52.4 -32.17 37.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 149.34 108.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.742 HG22 ' HB1' ' A' ' 66' ' ' ALA . 1.3 m -110.05 -45.2 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.764 ' HA ' HD22 ' A' ' 100' ' ' LEU . 71.0 m -124.32 15.62 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.215 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.646 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -151.04 -158.41 8.3 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.78 HG23 ' CD1' ' A' ' 104' ' ' ILE . 52.9 t -114.24 -4.58 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.506 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 35.72 89.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.965 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -106.28 131.58 53.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.518 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -114.98 -6.24 12.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.946 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.948 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 70.78 -48.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 -179.971 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.463 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.43 -18.07 0.3 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.497 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.38 -34.97 1.14 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.555 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -97.05 -97.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 0.0 109.332 -179.956 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.948 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.58 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -159.37 164.2 34.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.16 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -146.67 153.89 40.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.591 1.182 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.764 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.66 3.55 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.16 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.76 102.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.031 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.47 112.12 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.426 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.41 -179.16 21.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.11 -34.62 14.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.79 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 81.63 173.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.534 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.1 tp10 -134.68 6.85 3.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.2 -123.65 4.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -128.47 144.02 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 78.58 -3.49 63.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.617 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.61 144.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.783 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.702 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.83 -169.18 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.961 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.55 129.87 48.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.6 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.056 HD13 HG21 ' A' ' 63' ' ' ILE . 2.2 pt -143.16 143.0 25.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.556 ' OG1' ' HB2' ' A' ' 102' ' ' ASP . 0.6 OUTLIER -138.95 166.67 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.025 HD21 ' O ' ' A' ' 1' ' ' CYS . 0.9 OUTLIER -62.09 -50.62 71.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.246 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.566 ' H ' HD23 ' A' ' 100' ' ' LEU . 5.3 t -62.63 -14.63 45.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.319 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.556 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.9 t0 -89.33 168.58 12.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.031 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -71.38 115.14 10.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.426 1.079 . . . . 0.0 111.015 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.832 HG23 ' O ' ' A' ' 103' ' ' PHE . 6.3 pt -164.6 135.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.703 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.75 158.34 32.18 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.612 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 11.54 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.658 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.9 t90 70.7 -61.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.632 ' O ' HG23 ' A' ' 109' ' ' THR . 48.1 t0 -69.12 52.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.659 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.6 p -157.92 -57.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.443 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.007 HD22 ' HB3' ' A' ' 114' ' ' GLN . 62.5 mt 14.17 -107.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 148.43 -42.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.05 -59.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.598 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 31.8 m -54.72 -22.96 15.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.446 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.007 ' HB3' HD22 ' A' ' 110' ' ' LEU . 2.5 mp0 -86.78 -34.43 19.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.543 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -69.48 -38.54 77.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.598 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 3.0 pttt -63.73 -17.12 62.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.697 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.23 -5.98 32.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.112 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 22.6 mt -75.85 -30.25 58.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -100.58 8.0 43.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.611 ' CD2' ' O ' ' A' ' 117' ' ' SER . 0.1 OUTLIER -92.46 31.26 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.561 -179.931 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 45.32 -92.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.786 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 1.7 p90 -150.94 95.94 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.072 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.4 OUTLIER 55.84 62.59 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.355 -179.925 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.0 57.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 50.87 25.97 10.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.815 ' HB2' HE21 ' A' ' 9' ' ' GLN . 0.7 OUTLIER -56.21 -169.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.992 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.995 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 1.5 p 155.22 39.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.686 ' H ' HD21 ' A' ' 100' ' ' LEU . 2.8 m -64.4 -169.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 108.331 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.3 p -125.61 118.59 24.51 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.96 85.29 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.73 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.6 p -103.16 -133.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.73 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.7 p80 33.51 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.601 179.979 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' O ' HG22 ' A' ' 113' ' ' THR . 18.2 Cg_endo -74.96 3.4 5.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.58 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 39.6 tp60 -140.05 -41.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.502 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.9 -7.58 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.967 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.782 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.45 -35.26 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.859 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -90.51 7.78 37.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 123' ' ' GLN . 2.1 m -117.16 -11.06 10.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 108.333 179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.03 -38.14 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.642 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.51 173.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -148.97 11.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.664 HG21 ' SD ' ' A' ' 96' ' ' MET . 2.6 p -167.25 90.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.919 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -99.74 119.44 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.57 HD11 ' HE2' ' A' ' 96' ' ' MET . 0.6 OUTLIER -144.29 125.1 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.689 ' CZ ' ' CZ2' ' A' ' 107' ' ' TRP . 3.2 mtp180 -76.32 39.92 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.878 HG21 HD12 ' A' ' 47' ' ' ILE . 1.8 t -61.48 175.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.102 . . . . 0.0 110.404 -179.953 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.695 ' HG2' HG22 ' A' ' 50' ' ' ILE . 13.6 ptmt -130.35 119.69 23.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.838 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.34 101.53 13.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.928 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.894 HG12 HG11 ' A' ' 78' ' ' VAL . 2.8 m -103.61 -33.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.491 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.7 t -117.76 162.22 18.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -145.66 -174.56 4.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.97 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.635 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.2 ttpt -152.84 113.01 3.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.492 ' HG3' HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -75.67 90.6 2.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.234 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.546 HG13 ' HG2' ' A' ' 27' ' ' LYS . 21.2 m -99.46 83.41 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.74 143.07 2.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.491 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.0 t -127.06 32.02 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.96 -171.64 7.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.444 1.09 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.541 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -83.89 165.09 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.2 t70 -96.27 -162.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.765 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -79.74 0.91 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -107.63 -3.05 19.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.97 -6.92 83.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.541 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -80.63 153.35 73.28 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.506 0.768 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.05 128.2 11.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.46 1.769 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 31' ' ' SER . 36.8 mt -70.92 -94.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 40' ' ' ILE . 25.0 ttmt 73.73 125.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.489 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -129.58 68.62 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.952 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.992 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -37.96 143.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.635 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.7 mm100 -86.2 -177.73 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.964 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -138.69 65.3 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.949 -179.959 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.491 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 9.8 tt0 -60.49 71.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.878 HD12 HG21 ' A' ' 21' ' ' THR . 2.8 pt -67.41 -173.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.8 ttpt -125.76 -0.23 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.478 ' NE2' ' OD1' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 57.8 124.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.695 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -130.14 -30.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.52 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -156.14 169.83 23.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.448 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -145.62 70.16 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.996 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.966 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -39.76 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.974 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -133.05 65.12 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.09 -156.21 10.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.575 1.172 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.533 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.98 -166.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.598 1.841 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.53 -37.13 12.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.08 -82.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.953 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 6.2 t0 159.56 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.931 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.803 HG21 ' HG2' ' A' ' 96' ' ' MET . 1.2 mm -98.6 -72.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.373 179.947 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.582 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 73.01 -6.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.96 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.598 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -149.8 98.36 2.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.974 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.04 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -105.4 171.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.956 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.734 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -122.84 150.04 43.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 1.084 . . . . 0.0 110.971 -179.957 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.852 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.2 t -166.44 -171.2 1.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.381 179.936 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.916 ' HB1' HG22 ' A' ' 71' ' ' VAL . . . -100.15 150.36 36.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.992 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -75.0 -160.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.457 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 58.07 -165.03 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.972 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 95.1 p -74.93 43.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.054 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.702 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 71.1 104.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.916 HG22 ' HB1' ' A' ' 66' ' ' ALA . 1.4 m -106.9 -34.94 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.656 ' HA ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -134.4 14.77 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.267 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.702 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -149.07 -158.94 8.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.827 HG23 ' CD1' ' A' ' 104' ' ' ILE . 70.9 t -111.56 -1.44 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 0.771 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 74' ' ' VAL . 67.0 p 31.98 83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.142 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.41 132.83 49.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.583 ' C ' ' H ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -116.6 -8.74 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.233 -179.947 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.894 HG11 HG12 ' A' ' 24' ' ' VAL . 1.2 t 74.27 -29.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.583 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.14 -11.4 32.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.568 1.167 . . . . 0.0 110.991 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.477 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -127.79 -34.53 0.55 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.551 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -94.27 -101.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.833 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.42 -63.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.6 OUTLIER -162.21 167.15 24.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.18 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -151.03 153.79 35.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.445 1.09 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.728 HD11 HG23 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -83.52 3.58 31.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.238 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.18 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 9.83 103.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.016 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.66 106.76 8.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.586 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -157.39 170.92 34.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -48.76 97.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.648 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -52.43 178.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 32.0 tt0 -118.64 -34.41 4.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.946 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.523 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 149.86 51.5 0.02 OUTLIER Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.523 ' O ' ' O ' ' A' ' 92' ' ' GLY . 1.8 m-20 55.35 153.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 65.62 -3.68 2.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -179.78 140.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.803 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -147.8 -173.27 4.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.734 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.24 129.21 50.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.577 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.04 HD13 HG21 ' A' ' 63' ' ' ILE . 3.7 pt -140.03 138.19 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.593 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.6 p -136.92 168.08 20.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.686 HD21 ' H ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -63.17 -43.08 99.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -64.89 -26.26 68.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.294 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.485 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 2.9 t70 -81.83 169.69 16.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.016 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -73.11 119.14 16.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.995 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.872 HG23 ' O ' ' A' ' 103' ' ' PHE . 6.9 pt -165.76 136.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.387 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.728 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.0 158.39 32.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.9 11.09 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.409 1.741 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.689 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 17.5 t90 71.68 -62.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 107.961 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.638 ' O ' HG23 ' A' ' 109' ' ' THR . 8.6 t70 -69.67 53.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.689 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.2 p -158.26 -54.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.933 HD22 ' HB3' ' A' ' 114' ' ' GLN . 51.3 mt 8.55 -107.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 147.66 -39.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.617 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.29 -65.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.418 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.518 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 22.6 m -48.21 -27.4 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.465 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.933 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.5 mp0 -82.92 -35.94 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.239 -179.979 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -67.74 -42.68 81.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.518 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.76 -18.12 58.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.653 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.63 -15.33 26.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.964 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.966 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 93.9 mt -72.62 -28.47 62.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -92.46 -18.05 23.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.369 179.893 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.587 ' CD2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -86.68 35.61 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.626 179.992 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.502 ' HD3' ' N ' ' A' ' 121' ' ' ARG . 1.8 mpt_? 63.03 -96.35 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.086 . . . . 0.0 110.336 -179.937 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.548 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 13.3 p90 -165.51 13.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.548 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 2.7 tt0 173.66 58.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.209 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.587 ' SD ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.82 54.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.976 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 47.6 23.0 1.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.7 OUTLIER -60.25 -165.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.437 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.249 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.881 ' H2 ' ' CD2' ' A' ' 100' ' ' LEU . 37.6 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.403 ' OG ' ' C ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 67.46 3.08 3.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.954 -179.984 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 m -55.75 -178.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.293 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.8 p -114.13 110.37 48.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.454 1.765 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.718 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.1 p -140.48 -132.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.718 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.6 OUTLIER 33.97 84.49 0.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.628 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.715 ' O ' HG22 ' A' ' 113' ' ' THR . 18.0 Cg_endo -75.07 3.34 5.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.555 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 39.2 tp60 -138.23 -43.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.7 mt-30 -65.39 -5.77 8.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.221 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.827 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.45 -36.19 24.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.929 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -88.43 1.74 54.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 2.8 m -111.43 -14.63 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.356 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.4 -39.13 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.602 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -52.97 170.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.21 11.8 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.64 HG11 ' SD ' ' A' ' 96' ' ' MET . 10.8 p -165.7 93.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.982 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -103.15 119.4 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.535 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -143.14 126.4 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.922 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.688 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.2 mtp180 -77.34 37.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 179.942 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.859 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.6 t -61.09 166.3 3.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 18.4 ptmt -123.1 120.2 32.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.603 1.189 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.832 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.76 101.2 13.8 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.641 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.1 m -101.86 -35.23 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.3 t -119.2 165.38 14.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.4 mp0 -147.82 -174.64 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -153.2 118.35 5.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 7.6 tt0 -77.67 94.96 4.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.924 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG13 ' HG2' ' A' ' 27' ' ' LYS . 15.5 m -105.32 109.57 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 109.377 179.941 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.49 154.13 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.381 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.643 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -141.13 18.71 2.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 -179.969 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.405 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 73.6 178.7 37.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m120 -84.23 164.03 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.4 t0 -95.28 -161.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.771 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.12 0.14 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.391 179.895 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -107.98 -0.78 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.36 -8.71 76.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.527 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -78.35 153.03 79.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.261 -179.925 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.99 129.44 12.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.643 HG21 ' OG ' ' A' ' 31' ' ' SER . 58.1 mt -65.88 -79.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.605 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 14.0 tppt? 69.11 124.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.86 66.53 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.936 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.942 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.37 149.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 -179.959 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.749 ' NE2' ' CE1' ' A' ' 64' ' ' TYR . 6.5 mm100 -91.06 -178.97 5.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.929 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.2 70.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 -179.968 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.8 tt0 -65.02 66.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.57 1.168 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.014 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.5 pt -63.84 -170.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.936 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.61 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -128.38 10.22 6.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.61 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.1 tp-100 43.66 108.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.477 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -117.78 -26.16 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -158.0 167.36 30.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' PHE . 8.8 ptm -145.77 68.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.071 ' CE2' HD22 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -37.1 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.938 -179.939 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -127.03 74.79 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -130.01 -163.26 11.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.615 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.98 -172.39 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.793 . . . . 0.0 111.053 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.23 -37.61 21.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.63 -86.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 2.1 t70 151.6 163.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.057 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.3 OUTLIER -118.77 75.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.507 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -70.08 -5.68 28.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.248 179.979 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.541 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 7.5 m-85 -134.87 92.37 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.949 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -96.26 166.54 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.749 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 18.8 m-85 -117.26 147.41 42.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 111.065 179.953 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.836 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.4 t -164.77 -168.05 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.784 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -99.32 153.46 37.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.942 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -74.92 -161.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.99 -175.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.934 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.743 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 6.7 t -45.6 -46.93 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.798 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 158.72 101.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.597 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -105.97 -41.13 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.784 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 24.6 m -126.72 25.37 6.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 108.206 -179.944 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.798 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -166.95 -160.13 13.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.892 HG23 HD12 ' A' ' 104' ' ' ILE . 74.2 t -112.59 -4.97 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 33.88 82.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.903 179.937 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.023 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.19 132.29 48.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.592 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -112.59 -11.08 13.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.952 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.641 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.6 t 73.98 -15.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -75.85 -12.14 84.13 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.462 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -128.59 -22.37 1.32 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.524 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -104.43 -97.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 109.358 179.92 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.516 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 162.93 -58.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.516 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -167.64 169.86 11.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.107 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.7 p90 -152.64 152.78 32.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.744 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.77 2.58 37.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.107 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.53 102.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.055 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.16 109.34 11.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.89 174.01 23.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.685 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -46.42 -28.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 82.6 175.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.565 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 6.7 tp10 -132.67 -10.78 3.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.3 -125.1 2.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -124.77 144.5 50.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.746 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 75.35 -3.69 46.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.154 . . . . 0.0 110.949 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.828 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -177.92 138.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 0.799 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 96' ' ' MET . . . . . 1.057 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -133.34 -161.37 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.965 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.428 ' ND1' ' OE1' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -131.46 122.59 26.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.659 179.998 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.044 HD12 HG13 ' A' ' 86' ' ' ILE . 2.5 pt -138.02 134.74 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 72' ' ' CYS . 1.3 p -135.12 167.99 19.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.881 ' CD2' ' H2 ' ' A' ' 1' ' ' CYS . 0.3 OUTLIER -63.93 -31.98 73.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -24.86 58.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 108.282 -179.988 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.411 ' O ' HG12 ' A' ' 104' ' ' ILE . 10.0 t0 -85.31 168.05 15.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.055 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -69.92 118.27 12.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.892 HD12 HG23 ' A' ' 74' ' ' VAL . 6.6 pt -164.93 134.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.647 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.48 158.84 32.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 -179.945 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 17.9 Cg_endo -75.04 10.92 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.688 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.8 t90 71.4 -61.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.029 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 109' ' ' THR . 46.1 t0 -70.45 52.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.39 179.944 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.659 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -157.08 -58.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.466 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.008 HD22 ' HB3' ' A' ' 114' ' ' GLN . 56.1 mt 14.91 -107.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.654 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 146.37 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.947 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.622 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.03 -63.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 8' ' ' PRO . 3.4 m -50.76 -22.9 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 -179.951 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.008 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.3 mp0 -87.9 -34.73 18.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.926 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -70.19 -39.82 74.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.565 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.47 -14.82 45.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.43 -12.28 21.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.94 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.071 HD22 ' CE2' ' A' ' 53' ' ' PHE . 4.2 mt -86.87 1.71 51.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -74.33 -50.03 20.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.685 ' CE1' ' CE ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -77.42 -108.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.666 ' HG2' ' C ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -148.42 -72.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.365 179.979 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 19.3 p90 -135.24 10.5 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.6 OUTLIER -166.05 75.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 179.992 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.685 ' CE ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -67.0 54.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 0.0 110.992 -179.995 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 43.86 23.98 0.44 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 179.954 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.533 ' HB3' ' NE2' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -63.17 -166.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.939 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.437 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 3.8 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.242 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.749 ' O ' ' CB ' ' A' ' 2' ' ' SER . 93.9 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.749 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 83.6 p 117.83 -20.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.019 -179.906 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 4' ' ' SER . 1.7 t -41.26 161.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 108.357 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.464 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 23.4 p -94.53 112.4 57.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.2 7.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.458 1.767 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.764 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.3 p -148.6 -133.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.764 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.01 89.57 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.602 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.02 -29.09 8.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.582 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 39.2 tp60 -108.58 -27.12 10.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -76.79 -9.33 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 179.991 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.13 -35.95 25.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.913 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -90.83 6.95 42.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.961 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.488 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 11.4 m -116.04 -7.94 11.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.83 -39.25 6.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.628 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.04 171.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.67 14.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 88' ' ' GLY . 8.6 p -166.4 88.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.924 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.96 118.19 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 52' ' ' MET . 0.9 OUTLIER -142.15 125.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.625 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.9 ttp85 -77.19 40.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.937 HG21 HD12 ' A' ' 47' ' ' ILE . 2.5 t -62.73 176.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.518 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.2 ptmt -129.44 120.36 25.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.842 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.06 104.63 16.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.891 HG12 HG11 ' A' ' 78' ' ' VAL . 3.2 m -107.95 -35.28 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 5.4 t -115.31 161.27 18.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -143.42 -172.69 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 1.067 . . . . 0.0 110.245 -179.956 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.2 ttpt -154.86 118.24 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 2.7 tt0 -77.72 94.81 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.554 HG13 ' HG2' ' A' ' 27' ' ' LYS . 11.5 m -103.72 83.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.28 142.24 7.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.467 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -127.76 32.06 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.96 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 59.54 -170.45 6.09 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.515 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.2 m120 -84.02 165.66 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.594 0.82 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.8 t70 -95.97 -161.66 0.89 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.757 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -80.92 0.39 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -107.42 -1.17 21.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.87 -8.52 77.63 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.515 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.6 p-10 -79.08 153.47 77.3 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.96 129.93 12.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.778 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.467 HG21 ' OG ' ' A' ' 31' ' ' SER . 40.7 mt -73.79 -94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.531 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 28.7 ttmt 71.94 123.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -130.0 73.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.686 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -40.23 153.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.772 ' NE2' ' CE2' ' A' ' 64' ' ' TYR . 7.8 mm100 -94.08 -178.24 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 1.06 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.77 67.39 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.999 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.9 tt0 -62.15 70.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.937 HD12 HG21 ' A' ' 21' ' ' THR . 3.2 pt -67.36 -173.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.1 ttpt -123.6 -2.51 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 57.17 123.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.606 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -132.65 -33.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -147.8 164.23 34.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.944 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.553 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -145.58 67.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.968 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.762 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 20.5 m-85 -39.7 -77.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.569 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.24 71.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.53 -157.61 9.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.474 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.04 -173.22 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.812 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -83.76 -36.92 23.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.382 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -85.03 -78.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.1 t70 154.64 171.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.736 HG23 ' N ' ' A' ' 95' ' ' LYS . 2.0 mm -94.36 -72.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.593 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 73.57 -5.86 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -147.77 97.12 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.027 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -107.86 169.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.772 ' CE2' ' NE2' ' A' ' 44' ' ' GLN . 5.0 m-85 -122.01 157.85 30.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.922 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 65' ' ' THR . . . . . 1.06 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.9 t -174.9 -161.64 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.453 ' CB ' ' H ' ' A' ' 72' ' ' CYS . . . -92.65 153.11 42.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.686 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 -61.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.576 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -38.87 168.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.77 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 11.1 p -37.9 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 -179.942 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 152.11 95.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.576 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.8 OUTLIER -106.96 -44.35 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.882 ' O ' HG22 ' A' ' 99' ' ' THR . 8.3 m -118.01 18.35 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 108.317 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.601 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -160.18 -157.54 8.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.85 HG23 HD12 ' A' ' 104' ' ' ILE . 88.3 t -112.4 -18.25 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.362 179.909 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 50.03 86.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.958 -179.967 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.955 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -104.55 132.17 51.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.531 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.32 -4.96 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.049 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 74.12 -53.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.98 -15.41 0.55 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.52 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -115.8 -33.02 1.61 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.52 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -105.34 -97.04 0.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.049 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.85 -77.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.408 1.068 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 12.1 mp0 -150.2 157.73 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.143 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -142.45 154.5 44.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.415 1.072 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.813 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.54 0.64 45.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.143 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.37 99.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.034 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -123.97 107.15 11.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.841 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -156.02 163.92 32.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -44.57 95.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.677 ' HB2' ' HB ' ' A' ' 17' ' ' VAL . . . -50.48 -179.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 71.1 tt0 -120.13 -38.0 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.894 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.58 50.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.508 ' O ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 56.54 152.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.468 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 66.5 -3.22 3.71 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.42 1.075 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.736 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -179.62 140.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.637 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.58 -170.73 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.963 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.31 125.92 37.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.382 1.051 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.027 HD13 HG21 ' A' ' 63' ' ' ILE . 2.9 pt -136.45 148.54 27.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.882 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -145.57 166.66 25.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.369 179.989 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.731 HD23 ' H ' ' A' ' 101' ' ' CYS . 1.1 pt? -60.37 -49.13 78.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.731 ' H ' HD23 ' A' ' 100' ' ' LEU . 4.1 t -62.3 -21.21 65.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 108.323 179.992 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.4 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.3 t0 -84.01 167.85 16.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.034 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -72.09 116.59 12.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.945 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.85 HD12 HG23 ' A' ' 74' ' ' VAL . 5.1 pt -163.15 136.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.236 179.961 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.52 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -158.85 155.99 25.86 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.57 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.97 7.91 2.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.444 1.76 . . . . 0.0 111.048 179.932 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.791 ' HD1' HD12 ' A' ' 85' ' ' LEU . 2.2 t90 74.95 -57.93 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 108.032 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.614 ' O ' HG23 ' A' ' 109' ' ' THR . 18.2 t70 -69.23 50.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 17.0 p -159.59 -49.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 110.402 -179.945 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.047 HD22 ' HB3' ' A' ' 114' ' ' GLN . 46.4 mt 5.19 -107.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.639 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.9 m 148.06 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.627 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 157.57 -62.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 12.0 m -52.15 -25.81 9.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.39 1.056 . . . . 0.0 110.328 -179.966 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.047 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.4 mp0 -82.22 -37.65 25.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.952 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.667 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -68.21 -43.36 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.969 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.518 ' HZ1' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -63.57 -14.48 51.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.618 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -95.21 -25.89 16.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.762 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -63.07 -28.83 70.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.407 ' OD1' ' HA ' ' A' ' 116' ' ' LYS . 2.2 p-10 -88.89 -5.86 57.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.572 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 1.4 m170 -90.83 31.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.443 ' C ' ' HG2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER 41.19 -95.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.247 179.97 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.707 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 19.8 p90 -140.3 96.22 3.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 2.2 tt0 54.0 65.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.572 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -66.11 59.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 110.98 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 53.79 23.47 22.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.03 -170.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.976 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.861 ' O ' HD21 ' A' ' 100' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 . . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.482 ' C ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -32.97 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 -179.942 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.695 ' H ' HD11 ' A' ' 100' ' ' LEU . 13.3 t -142.87 148.99 37.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 108.237 -179.927 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.4 p -71.68 110.91 8.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 179.927 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.3 Cg_endo -75.0 86.09 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 111.025 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.752 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.8 p -108.25 -133.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.752 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 40.01 88.04 0.1 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.02 -27.26 10.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.51 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 43.5 tp60 -113.48 -28.99 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -73.04 -6.39 45.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.777 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -85.1 -35.52 21.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.88 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -91.15 6.14 46.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 1.4 m -115.17 -10.04 12.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.42 -38.55 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.557 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.97 170.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.377 1.048 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.88 14.53 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.829 HG21 ' SD ' ' A' ' 96' ' ' MET . 12.4 p -165.87 89.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.0 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -100.68 117.58 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.556 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -144.26 125.0 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.954 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.658 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.5 ttp180 -76.16 39.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.841 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.5 t -60.12 168.67 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.349 -179.964 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.597 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.2 ptmt -123.12 120.37 33.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.783 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.47 98.42 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.913 HG12 HG11 ' A' ' 78' ' ' VAL . 6.7 m -101.5 -34.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -116.34 164.76 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.936 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.8 mp0 -150.13 -175.36 5.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.1 ttpt -153.27 113.48 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.482 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 2.7 tt0 -74.93 93.92 2.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.937 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.544 HG13 ' HG2' ' A' ' 27' ' ' LYS . 11.8 m -100.94 80.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.07 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.59 140.97 2.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.516 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.7 t -127.45 30.96 5.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.954 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.71 -170.26 6.45 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.547 1.154 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.549 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.6 m-80 -83.69 164.71 19.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.6 t0 -95.19 -161.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.886 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.768 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.9 -0.0 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -107.09 -1.17 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.59 -7.5 80.76 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.549 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.6 p-10 -79.97 154.06 75.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.99 129.18 12.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 31' ' ' SER . 34.3 mt -73.0 -94.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.482 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 20.4 ttmt 71.18 121.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.503 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -125.04 68.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 -179.951 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.049 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -38.57 145.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.78 ' NE2' ' CE1' ' A' ' 64' ' ' TYR . 6.7 mm100 -87.84 179.55 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 1.002 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.56 68.64 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.6 tt0 -63.34 69.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.841 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.5 pt -66.07 -167.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.65 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.5 ttpt -133.11 13.29 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.65 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.3 tp-100 40.75 109.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.491 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -118.08 -25.9 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -154.01 165.61 35.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.408 ' HG3' ' CG2' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -146.82 64.28 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 111.029 179.961 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 15.8 m-85 -39.94 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.582 ' CD ' ' HB3' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -123.39 73.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.955 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.04 -157.44 9.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.646 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.05 -171.95 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.425 1.75 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -92.73 -34.78 13.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 110.251 -179.996 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.71 -80.44 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.535 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t0 153.67 170.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.649 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.3 mm -102.37 -74.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.541 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 75.05 -8.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.26 179.966 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.584 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -147.54 96.74 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.971 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -106.3 167.61 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.992 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.78 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 5.6 m-85 -118.52 150.52 39.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.971 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 4.9 t -165.1 -172.69 2.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.463 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.685 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -101.32 147.42 33.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.049 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.05 -160.25 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER 56.61 -171.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -68.87 54.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.96 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.825 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 56.08 96.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.95 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.66 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -103.16 -32.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.695 ' HA ' HD22 ' A' ' 100' ' ' LEU . 14.0 m -133.39 11.63 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 -179.965 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.825 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -151.95 -155.54 7.07 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.893 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.832 HG23 HD12 ' A' ' 104' ' ' ILE . 73.9 t -112.88 -3.76 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 0.8 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.511 ' O ' ' OG ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 35.56 84.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.982 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.061 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.81 128.75 53.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.571 ' C ' ' H ' ' A' ' 79' ' ' GLY . 0.1 OUTLIER -115.55 -9.0 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.96 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.958 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.8 t 74.01 -18.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.571 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -72.8 -9.75 75.63 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.493 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -131.65 -31.25 0.51 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.554 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -96.95 -99.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.958 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.59 -68.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -157.84 163.23 38.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.113 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.8 p90 -147.14 151.79 37.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.816 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -82.42 2.72 31.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.167 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.113 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.95 99.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.037 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.39 106.35 9.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.539 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.68 172.51 23.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.682 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 3.1 tttm -45.79 -31.11 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 82.43 179.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.591 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -131.08 -37.49 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 171.48 -132.39 2.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.13 134.93 54.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.94 1.89 75.08 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -173.16 139.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 0.778 . . . . 0.0 109.342 179.92 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.829 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -139.85 -160.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 -179.995 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.2 125.87 22.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.187 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.014 HD12 HG13 ' A' ' 86' ' ' ILE . 2.5 pt -139.66 139.98 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -138.62 165.15 27.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.132 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.861 HD21 ' O ' ' A' ' 1' ' ' CYS . 1.2 pt? -58.51 -46.23 87.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 1.7 t -62.32 -32.6 73.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 108.327 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.426 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.0 t0 -73.99 165.49 25.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.037 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.59 116.39 10.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 111.063 179.999 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.832 HD12 HG23 ' A' ' 74' ' ' VAL . 7.0 pt -163.36 134.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.558 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.05 157.15 32.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.589 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.6 Cg_endo -74.94 10.47 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.816 ' HD1' HD12 ' A' ' 85' ' ' LEU . 1.8 t90 72.24 -59.77 0.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 107.977 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.629 ' O ' HG23 ' A' ' 109' ' ' THR . 67.2 t0 -68.33 51.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.671 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.4 p -158.72 -56.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.018 HD22 ' HB3' ' A' ' 114' ' ' GLN . 72.0 mt 13.31 -106.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.66 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 145.54 -41.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.11 -63.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.392 179.935 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.624 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 16.7 m -51.54 -23.19 3.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.183 . . . . 0.0 110.454 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.018 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.6 mp0 -85.97 -37.96 18.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 110.346 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.557 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -65.95 -42.11 90.41 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.624 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -60.11 -21.27 61.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.937 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.648 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.54 -12.24 35.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.055 179.982 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.595 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -85.43 -5.35 59.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.922 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.542 ' C ' ' OD1' ' A' ' 119' ' ' ASN . 0.1 OUTLIER -74.06 -57.21 4.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.73 ' CG ' ' HG2' ' A' ' 124' ' ' MET . 0.2 OUTLIER -67.45 -107.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.615 180.0 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.582 ' HB3' ' CD ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -147.81 -81.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.25 -179.997 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.472 ' HB3' ' CG ' ' A' ' 54' ' ' LYS . 29.0 p90 -134.79 8.16 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 111.011 -179.904 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.0 OUTLIER -157.8 73.57 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.73 ' HG2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -67.22 53.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 179.997 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 40.16 26.54 0.11 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 179.949 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.504 ' HB3' ' NE2' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -65.13 -166.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.985 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.43 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 36.6 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.64 ' O ' ' CB ' ' A' ' 2' ' ' SER . 34.7 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 4.2 p 146.53 -12.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.937 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.457 ' O ' HD11 ' A' ' 100' ' ' LEU . 1.7 m -44.68 165.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -99.86 115.14 65.82 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 89.03 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.726 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.1 p -112.81 -132.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.726 ' N ' HG13 ' A' ' 6' ' ' VAL . 2.2 p80 35.83 82.82 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.581 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.546 ' O ' HG22 ' A' ' 113' ' ' THR . 18.1 Cg_endo -75.03 8.63 2.34 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.9 OUTLIER -142.0 -45.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.445 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -61.68 -8.59 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.811 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.67 -34.04 30.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -91.01 6.73 43.63 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 2.8 m -116.57 -10.18 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.968 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.4 -38.79 7.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.672 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -52.82 167.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -149.27 15.39 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 17' ' ' VAL . 12.2 p -164.96 82.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.013 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.08 120.52 45.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.702 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.8 pt -145.45 125.09 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.701 ' HD2' HD11 ' A' ' 50' ' ' ILE . 2.6 ttm180 -77.49 41.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.954 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.861 ' CG2' HD12 ' A' ' 47' ' ' ILE . 1.4 t -64.32 173.05 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 11.7 ptmt -125.06 119.43 28.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.89 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -95.37 101.02 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.031 HG12 HG11 ' A' ' 78' ' ' VAL . 17.0 m -106.94 -35.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.3 t -111.78 159.23 18.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 110.016 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.0 mp0 -146.76 -179.13 6.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.685 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.3 ttpt -148.24 116.12 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 15.4 tt0 -76.04 98.23 4.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 29' ' ' VAL . 30.8 m -113.11 103.55 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.941 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.25 156.49 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.489 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.5 t -138.2 15.5 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.13 179.75 50.76 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.54 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.4 m120 -83.44 162.3 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.79 . . . . 0.0 109.378 179.93 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.7 t0 -94.69 -161.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.78 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.19 1.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.39 -1.22 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.37 -8.55 76.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.571 1.169 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.54 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.1 p-10 -79.21 153.57 76.99 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.08 130.26 13.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.489 HG21 ' OG ' ' A' ' 31' ' ' SER . 87.0 mt -69.06 -82.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HG2' ' HG3' ' A' ' 67' ' ' PRO . 15.2 ttmm 70.98 128.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.48 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -133.24 65.6 1.58 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.596 1.185 . . . . 0.0 110.284 -179.962 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.914 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -36.63 151.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.743 ' NE2' ' CE2' ' A' ' 64' ' ' TYR . 6.8 mm100 -92.02 177.61 6.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.977 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -134.65 67.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 -179.965 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 8.6 tt0 -63.12 69.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.292 -179.924 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.89 HG22 ' CA ' ' A' ' 23' ' ' ALA . 2.3 pt -66.77 -171.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.4 OUTLIER -125.83 0.27 7.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER 52.01 114.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.701 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -124.6 -31.15 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -147.93 161.57 41.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.557 ' HA ' HG22 ' A' ' 19' ' ' ILE . 12.4 ptt? -145.23 71.28 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.008 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 21.8 m-85 -42.78 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.62 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -126.83 73.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.52 -159.07 9.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.471 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.0 Cg_endo -75.05 179.45 6.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.54 -34.54 35.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 -179.968 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.11 -80.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.8 t70 153.68 171.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.962 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.643 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.6 mm -97.24 -72.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.557 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.09 -8.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.959 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -148.03 99.0 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.068 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.31 170.21 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.743 ' CE2' ' NE2' ' A' ' 44' ' ' GLN . 6.0 m-85 -124.54 147.67 48.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.809 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 10.1 t -164.98 -164.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.485 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -99.81 155.04 36.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.914 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -74.98 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.541 1.811 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.61 -176.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.75 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 41.6 t -46.33 -41.99 14.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 155.24 114.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.613 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -118.62 -46.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.672 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 4.2 m -114.95 10.19 16.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.36 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.646 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -155.32 -153.47 6.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.836 HG23 ' CD1' ' A' ' 104' ' ' ILE . 93.6 t -116.31 -4.08 11.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 34.92 86.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.994 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.044 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.85 131.25 51.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.578 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -111.16 -10.09 14.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.04 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.1 t 75.79 -45.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -55.84 -9.66 2.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.484 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -122.37 -28.24 1.51 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.524 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -108.51 -96.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.04 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 167.81 -75.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 16.0 mp0 -154.48 154.79 33.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.156 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.9 p90 -134.49 154.27 51.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.722 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.33 3.21 36.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.156 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.42 99.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 -179.941 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.013 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -122.7 108.92 13.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.583 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.14 179.59 19.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.559 1.162 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.1 mtpp -54.24 -30.45 50.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.39 178.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.525 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.0 tp10 -137.37 -42.96 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.595 ' O ' ' O ' ' A' ' 95' ' ' LYS . . . 165.37 126.89 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.593 ' C ' ' O ' ' A' ' 92' ' ' GLY . 1.5 m-20 -24.84 134.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 86.05 -3.92 86.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.454 1.096 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.643 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -176.54 140.83 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.702 ' HE3' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.3 -170.01 3.4 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.568 1.167 . . . . 0.0 111.08 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 128.21 44.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.608 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.068 HD13 HG21 ' A' ' 63' ' ' ILE . 2.1 pt -140.33 142.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -140.02 170.58 15.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.611 ' CD2' ' H2 ' ' A' ' 1' ' ' CYS . 0.6 OUTLIER -65.21 -44.23 89.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.935 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.481 ' H ' HD23 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -64.99 -22.27 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.957 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -84.69 167.86 15.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.957 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -72.36 117.21 13.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.586 1.179 . . . . 0.0 110.989 -179.964 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.836 ' CD1' HG23 ' A' ' 74' ' ' VAL . 7.2 pt -163.13 134.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.644 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.04 156.88 30.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.64 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.03 12.1 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.558 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.8 t90 70.36 -61.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.619 ' O ' HG23 ' A' ' 109' ' ' THR . 15.4 t70 -69.49 51.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 179.955 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.3 p -157.36 -57.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 -179.937 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.914 HD22 ' HB3' ' A' ' 114' ' ' GLN . 40.0 mt 9.87 -105.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.624 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.9 m 149.3 -42.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.024 -179.997 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.563 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.73 -67.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.427 1.079 . . . . 0.0 110.471 -179.99 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.552 ' N ' HG22 ' A' ' 112' ' ' THR . 1.4 m -49.68 -26.21 3.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.949 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.914 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.0 mp0 -80.01 -37.11 34.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.635 ' HA ' HD23 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -68.41 -46.68 69.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.983 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.474 ' O ' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -62.19 -17.32 57.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.595 ' HA ' ' CD2' ' A' ' 120' ' ' HIS . 0.1 OUTLIER -102.34 -21.45 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.05 179.935 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.008 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -90.91 -16.69 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 120' ' ' HIS . 46.9 p30 -73.93 -23.31 59.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.595 ' CD2' ' HA ' ' A' ' 117' ' ' SER . 3.1 p80 -96.22 169.07 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.637 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.443 ' C ' ' HG2' ' A' ' 54' ' ' LYS . 1.2 mpt_? -37.16 -89.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.626 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 52.8 p90 -161.63 17.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.626 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.9 OUTLIER 164.17 53.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.569 1.168 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.533 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -71.78 53.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 179.986 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.83 25.67 61.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.127 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.418 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -58.81 -170.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.994 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.992 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -176.89 48.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 179.972 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.681 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.8 m -56.48 -163.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 179.961 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.3 p -141.0 114.86 7.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' CB ' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.05 73.35 4.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.737 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.2 p -83.31 -133.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.737 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.9 OUTLIER 33.41 91.85 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.597 179.974 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 1.08 8.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.521 ' NE2' ' OG ' ' A' ' 117' ' ' SER . 40.7 tp60 -137.46 -41.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.556 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.29 -9.41 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.739 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.79 -33.64 27.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.869 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -91.05 3.8 53.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.388 1.055 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 2.2 m -112.67 -10.96 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 108.253 -179.966 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -102.12 -41.78 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.548 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -52.68 173.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 88' ' ' GLY . 4.4 m-20 -153.17 16.75 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.403 1.064 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 17' ' ' VAL . 14.0 p -164.45 83.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.038 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -97.27 119.56 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.595 HG22 ' HA ' ' A' ' 52' ' ' MET . 1.1 pt -146.6 124.06 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.62 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 13.6 ttp180 -76.1 41.33 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.915 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.5 t -62.42 170.2 2.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 110.435 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.9 ptmt -123.76 118.76 27.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.088 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.787 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.78 96.31 10.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.635 ' CG1' HG11 ' A' ' 78' ' ' VAL . 11.2 m -101.09 -34.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.507 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -115.53 163.78 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.8 mp0 -150.64 -179.18 7.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.7 ttpt -145.0 111.85 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.963 ' HG3' HD11 ' A' ' 43' ' ' ILE . 17.7 tt0 -73.26 94.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.437 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 23.2 m -111.59 122.69 66.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.249 -179.935 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.404 ' CG ' ' HZ1' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -71.96 155.93 39.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.999 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.525 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.0 t -137.86 23.73 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' ILE . . . 76.41 -179.51 48.44 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.9 m-20 -84.5 163.89 19.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.9 t0 -96.12 -161.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.782 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.95 0.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -109.19 -0.22 19.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.34 -9.5 72.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -77.35 153.72 81.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.52 0.776 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.01 129.94 12.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.548 1.815 . . . . 0.0 110.969 -179.942 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 31' ' ' SER . 55.9 mt -66.08 -86.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 18.5 ttmm 74.55 128.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.994 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.544 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -131.18 65.36 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 110.257 -179.915 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.971 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -35.77 142.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.786 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.2 mm100 -84.59 178.01 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.894 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.58 68.22 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.4 tt0 -62.83 69.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.915 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.0 pt -65.79 -168.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.655 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -131.82 14.39 4.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.655 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.3 tp-100 38.14 107.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.202 179.915 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.53 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -116.93 -27.62 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.957 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 19' ' ' ILE . 1.8 tttt -150.7 165.16 34.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.595 ' HA ' HG22 ' A' ' 19' ' ' ILE . 3.2 ptp -146.21 66.44 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.653 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 17.0 m-85 -42.61 -79.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.601 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -124.37 73.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.08 -157.45 9.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -74.96 -173.99 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.12 -35.33 21.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -84.5 -78.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.363 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 153.94 171.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.788 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.5 mm -97.58 -71.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.539 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 3.1 mt-10 73.19 -8.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.0 m-85 -144.97 95.98 2.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.001 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -102.22 167.0 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.786 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 5.7 m-85 -123.48 145.39 48.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 111.07 179.922 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.77 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.7 t -161.57 -167.54 1.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.438 179.981 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.534 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -103.8 150.94 38.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.971 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -159.94 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.051 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.433 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.56 -159.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.045 -179.981 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.702 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 28.4 t -82.06 29.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.72 ' HB2' ' HB2' ' A' ' 75' ' ' SER . . . 86.85 96.46 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.501 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -102.52 -36.6 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 99' ' ' THR . 48.0 m -132.69 22.92 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 108.275 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.636 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -158.06 -159.08 9.35 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.961 HG23 HD12 ' A' ' 104' ' ' ILE . 78.9 t -111.84 0.02 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.72 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 28.2 81.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 180.0 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.948 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.62 129.44 49.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.242 -179.915 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.567 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -106.43 -7.83 17.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.917 HG22 ' O ' ' A' ' 82' ' ' LYS . 2.5 t 69.83 -52.7 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.7 -15.62 0.16 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.488 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.35 -30.0 1.81 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.567 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -102.21 -94.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.917 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.99 -85.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.934 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.59 ' O ' ' O ' ' A' ' 106' ' ' PRO . 8.1 mp0 -151.12 149.82 29.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.162 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -127.04 154.12 45.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.827 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -85.23 5.41 30.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.943 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.162 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 8.4 102.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.048 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.36 109.71 13.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.569 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.0 -178.15 16.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.076 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 35.2 mtmt -60.24 -14.6 18.7 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.491 0.76 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.586 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 71.13 -177.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.528 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 12.7 tp10 -128.95 -41.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.534 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.14 55.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.534 ' O ' ' O ' ' A' ' 92' ' ' GLY . 1.3 m-20 54.69 155.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.59 0.818 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 63.53 -4.08 1.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.788 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -179.71 143.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.697 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -147.41 -171.47 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.932 -179.977 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.62 128.04 44.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.543 -179.942 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.001 HD13 HG21 ' A' ' 63' ' ' ILE . 6.3 pt -138.43 137.9 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.658 ' O ' HD11 ' A' ' 104' ' ' ILE . 5.0 p -139.42 163.17 33.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.397 179.936 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.681 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -63.66 -22.54 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.33 -24.45 29.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.441 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.9 t0 -87.27 172.78 9.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.048 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -72.5 118.54 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.961 -179.965 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.961 HD12 HG23 ' A' ' 74' ' ' VAL . 5.9 pt -164.89 136.99 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.557 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -157.94 156.53 28.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.59 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.4 Cg_endo -75.03 9.98 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.827 ' HD1' HD12 ' A' ' 85' ' ' LEU . 2.0 t90 71.84 -58.28 0.59 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 108.051 -179.961 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 109' ' ' THR . 51.6 t0 -68.57 51.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 10.8 p -159.16 -51.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.932 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.007 HD22 ' HB3' ' A' ' 114' ' ' GLN . 53.2 mt 5.88 -106.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.665 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.2 m 143.83 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 -179.944 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.611 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.88 -61.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.987 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.576 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.0 m -51.53 -23.71 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.007 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.3 mp0 -87.46 -37.64 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.627 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.2 mtmt -67.31 -39.88 85.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.576 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.15 -14.08 33.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.591 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.86 -10.53 22.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 110.005 -179.988 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.653 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -86.46 2.42 47.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.364 -179.981 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -78.07 -62.76 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -179.969 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.748 ' HB2' ' HG2' ' A' ' 124' ' ' MET . 2.5 m80 -64.94 -97.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.645 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.56 ' CD ' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -160.83 -77.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.49 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 14.4 p90 -130.89 15.23 5.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 111.004 179.944 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.5 OUTLIER -170.9 75.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.232 179.952 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.748 ' HG2' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -67.19 53.64 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.929 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 48.24 21.03 1.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.922 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.6 OUTLIER -62.22 -167.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.959 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.405 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.608 ' SG ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 163.72 62.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.932 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -95.29 158.71 15.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.296 180.0 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.42 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 95.0 p -90.07 125.45 60.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.456 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.0 Cg_endo -75.06 96.23 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.449 1.763 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.74 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -119.57 -132.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.74 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 38.45 82.01 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.59 -180.0 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 1.72 7.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.399 1.736 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.503 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.0 OUTLIER -135.94 -43.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.956 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.432 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -65.33 -6.37 9.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.765 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.2 -34.22 23.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.893 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.7 OUTLIER -92.49 9.53 34.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 1.5 m -119.42 -10.1 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.075 . . . . 0.0 108.325 -179.959 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.48 -40.02 6.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.544 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.35 173.74 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -152.88 16.71 0.57 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.74 HG23 ' HD3' ' A' ' 56' ' ' PRO . 12.0 p -165.82 84.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.065 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -97.9 116.72 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.922 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.633 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -142.18 126.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.652 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.8 mtm180 -78.36 38.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.974 HG21 HD12 ' A' ' 47' ' ' ILE . 2.6 t -60.72 171.96 1.04 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 16.1 ptmt -124.47 119.48 29.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.861 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.6 99.05 11.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.567 ' CG1' HG11 ' A' ' 78' ' ' VAL . 8.6 m -103.49 -35.33 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.521 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.5 t -113.97 163.12 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.606 1.191 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -145.38 -174.1 4.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.96 119.05 5.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -78.4 93.51 4.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' HG2' ' A' ' 27' ' ' LYS . 12.2 m -102.75 99.69 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.536 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -49.7 147.56 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.653 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -133.86 16.12 3.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.29 -174.63 37.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.9 m-20 -83.7 165.19 19.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 0.786 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.2 t0 -95.63 -161.16 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.765 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -81.51 0.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -108.46 -1.19 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.2 -8.75 77.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.3 p-10 -78.58 154.96 78.83 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.08 129.26 12.11 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.653 HG21 ' OG ' ' A' ' 31' ' ' SER . 48.1 mt -70.21 -83.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.542 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.21 122.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.455 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 3.2 ptt180 -130.87 71.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.414 1.071 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.817 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -43.57 149.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.4 mm100 -89.45 -175.3 4.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.881 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.26 69.36 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.984 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.521 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.5 tt0 -62.7 68.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.974 HD12 HG21 ' A' ' 21' ' ' THR . 3.1 pt -67.48 -175.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.377 179.931 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 49' ' ' GLN . 1.6 ttpt -119.39 -5.1 10.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.516 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 15.4 mm100 53.55 109.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.527 HD13 ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -119.21 -33.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.47 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -144.92 160.72 40.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.489 ' O ' ' CG ' ' A' ' 52' ' ' MET . 2.0 ptt? -141.58 69.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.108 ' CE2' HD22 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -36.46 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 111.026 179.964 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 18' ' ' VAL . 3.7 tptt -128.1 73.85 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -122.89 -166.15 12.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.383 1.052 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.74 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.01 -172.29 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.88 -32.31 13.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.65 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -72.58 -77.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.397 1.06 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.65 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.7 t70 144.32 163.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 -179.906 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.864 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -105.22 -77.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.512 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 73.77 -7.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 110.284 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -143.99 98.85 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 179.992 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.017 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -103.85 172.44 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -122.93 156.04 35.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 111.059 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.874 HG21 ' CE2' ' A' ' 45' ' ' TYR . 4.9 t -176.63 -170.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.451 -179.949 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.506 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -88.16 155.48 52.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.817 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.6 Cg_endo -74.91 -60.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 111.044 179.952 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.535 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.5 OUTLIER -41.76 170.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.71 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 13.6 p -35.68 -40.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.782 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 159.43 89.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.672 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -96.82 -38.84 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.845 ' O ' HG22 ' A' ' 99' ' ' THR . 15.3 m -129.55 25.39 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 108.211 -179.888 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.782 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -165.21 -158.15 10.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.088 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.958 HG23 HD12 ' A' ' 104' ' ' ILE . 64.3 t -114.97 -11.92 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.489 ' CA ' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 38.23 80.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.954 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.47 131.04 49.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.507 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.6 p30 -104.17 -7.75 19.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 82' ' ' LYS . 3.3 t 70.13 -52.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.84 -11.95 0.4 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -120.25 -23.65 2.88 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -110.66 -92.0 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 109.366 179.913 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.73 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.33 -86.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.57 ' O ' ' O ' ' A' ' 106' ' ' PRO . 8.0 mp0 -150.96 147.33 27.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.17 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.8 p90 -124.64 154.88 40.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.746 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.67 4.19 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.933 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.17 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.08 102.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.065 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -128.48 108.98 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.569 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.11 174.04 23.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.642 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -44.19 -34.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.78 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.654 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 81.16 176.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.518 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.1 tp10 -134.31 5.3 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.24 -119.31 2.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.92 142.88 49.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 77.4 -1.49 65.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.83 137.99 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 109.329 -179.971 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.864 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -142.81 -168.82 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.909 -179.964 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.85 130.83 45.75 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 0.0 109.551 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.017 HD13 HG21 ' A' ' 63' ' ' ILE . 14.1 pt -142.27 137.2 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -135.3 160.96 36.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 110.466 179.995 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.709 HD23 ' H ' ' A' ' 101' ' ' CYS . 1.4 pt? -54.83 -49.02 72.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.709 ' H ' HD23 ' A' ' 100' ' ' LEU . 6.7 t -60.77 -31.32 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 108.324 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.46 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.6 t0 -73.9 166.99 22.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.038 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -70.83 118.07 13.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 179.983 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.958 HD12 HG23 ' A' ' 74' ' ' VAL . 4.0 pt -165.66 135.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.632 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.44 155.82 29.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.581 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.0 11.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.573 1.828 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.643 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 11.0 t90 71.02 -59.09 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.652 ' O ' HG23 ' A' ' 109' ' ' THR . 21.2 t0 -68.81 51.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.684 ' O ' ' C ' ' A' ' 110' ' ' LEU . 6.5 p -159.19 -54.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.022 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.2 mt 8.66 -107.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.9 m 145.94 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.613 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.68 -64.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.17 . . . . 0.0 110.433 179.989 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.533 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 18.4 m -48.15 -22.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.022 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.2 mp0 -89.12 -36.15 15.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 1.052 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -68.27 -39.03 82.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.533 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.58 -24.91 66.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -88.84 -11.91 43.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.958 -179.943 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.108 HD22 ' CE2' ' A' ' 53' ' ' PHE . 10.8 mt -84.65 -0.4 53.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -73.93 -57.21 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.631 ' CD2' ' HA ' ' A' ' 124' ' ' MET . 0.3 OUTLIER -69.25 -109.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.581 -179.979 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.597 ' HG2' ' C ' ' A' ' 120' ' ' HIS . 0.2 OUTLIER -146.89 -72.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.217 -179.895 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.473 ' HB3' ' CG ' ' A' ' 54' ' ' LYS . 14.6 p90 -137.19 8.23 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.3 OUTLIER -159.73 71.37 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.368 179.983 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.631 ' HA ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -66.89 55.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 111.058 179.987 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 39.88 26.73 0.1 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.904 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 124' ' ' MET . 0.5 OUTLIER -62.83 -170.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.953 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.989 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 1.044 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 62.6 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 45.31 22.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 101' ' ' CYS . 1.6 m -64.89 174.02 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.7 p -121.34 107.2 37.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 179.982 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 126.82 10.17 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.762 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -153.77 -134.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.762 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.9 p80 32.28 85.38 0.15 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.075 . . . . 0.0 109.599 179.985 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.46 4.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.567 1.825 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' OE1' ' HE2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -137.83 -45.06 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -63.06 -7.21 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.86 -33.2 27.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.877 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -92.58 7.84 41.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.967 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 1.8 m -117.9 -8.66 10.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 108.271 179.98 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.45 -39.22 6.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.597 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.77 171.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -151.43 16.52 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.791 HG23 ' HD3' ' A' ' 56' ' ' PRO . 11.2 p -164.95 84.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.006 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -98.05 119.27 45.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.955 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.604 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.0 OUTLIER -145.74 125.46 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.245 -179.992 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.674 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.0 mtp180 -77.58 41.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 110.351 179.958 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.931 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.3 t -63.35 169.93 3.35 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.96 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 15.1 ptmt -124.02 120.64 33.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.882 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.11 105.38 17.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.896 HG12 HG11 ' A' ' 78' ' ' VAL . 3.8 m -108.89 -37.45 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.52 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -111.83 164.29 13.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.9 mp0 -149.84 -177.98 6.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.9 ttpt -148.52 111.94 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.676 ' HG3' HD11 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -74.37 93.52 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 29' ' ' VAL . 32.6 m -109.0 101.84 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.462 ' CG ' ' HZ3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -56.63 151.28 14.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.963 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.9 t -132.8 24.01 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 72.44 -177.07 40.83 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.2 m-80 -84.67 163.51 19.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.376 0.692 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.7 t0 -95.11 -161.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -81.2 -0.46 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.228 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -107.18 -1.37 21.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.09 -8.65 77.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.43 1.081 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -78.14 152.37 79.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 0.793 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.98 128.21 11.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.436 HG21 ' OG ' ' A' ' 31' ' ' SER . 24.4 mt -66.75 -89.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 20.6 ttmm 73.02 126.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -129.96 66.44 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.984 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.004 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -37.2 143.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.793 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 6.2 mm100 -85.22 178.82 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.205 -179.883 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.971 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.23 67.68 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.063 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.52 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.5 tt0 -62.51 69.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.931 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.4 pt -67.56 -174.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 49' ' ' GLN . 10.0 ttpt -120.58 -3.78 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.494 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 14.2 mm100 52.95 111.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 179.94 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.432 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -119.5 -33.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.544 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -144.87 162.27 37.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.51 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -142.36 66.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.954 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 1.11 ' CE2' HD22 ' A' ' 118' ' ' LEU . 1.1 m-85 -35.0 -80.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.566 ' C ' ' HD2' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -127.93 73.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 17' ' ' VAL . . . -121.21 -161.35 11.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.791 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.96 -173.56 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.558 1.82 . . . . 0.0 110.999 179.947 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -91.74 -33.37 15.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.598 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.53 -85.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.944 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.598 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.5 t70 158.53 166.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.591 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -106.69 -80.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.237 -179.997 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.2 mt-10 72.85 -8.18 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.567 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -141.85 91.58 2.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.936 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -99.86 172.07 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.793 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 8.8 m-85 -123.76 157.99 32.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.88 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.8 t -172.26 -168.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.1 150.8 39.2 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.004 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.02 -159.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 55.9 -170.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 0.0 109.969 179.991 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.9 p -69.33 54.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.746 ' HB2' ' OG ' ' A' ' 75' ' ' SER . . . 56.12 100.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.536 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -109.13 -38.69 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 1.044 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 19.9 m -124.69 18.87 8.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.986 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.6 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -158.81 -158.09 8.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.05 HG23 HD12 ' A' ' 104' ' ' ILE . 21.9 t -111.37 2.3 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.746 ' OG ' ' HB2' ' A' ' 70' ' ' ALA . 86.3 p 29.91 84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.061 -179.954 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.156 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.59 133.89 49.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.482 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -123.38 0.24 8.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.03 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.56 -54.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.173 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.64 -12.44 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -118.77 -32.14 1.35 Allowed Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.527 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -108.4 -94.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 0.765 . . . . 0.0 109.375 179.91 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.03 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.25 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.532 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -154.94 162.73 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.156 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.5 p90 -147.72 152.29 37.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.746 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.33 4.07 28.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.143 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.77 100.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.398 -179.958 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.041 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.24 107.3 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.238 -179.906 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.698 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.35 168.35 26.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.574 1.171 . . . . 0.0 110.961 179.942 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.687 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.8 tttm -39.41 -34.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.31 175.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.543 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 10.5 tp10 -131.53 1.56 4.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.84 -123.2 3.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.75 142.69 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 80.43 -6.8 59.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.591 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -173.11 145.53 1.35 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.694 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.24 -169.75 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.981 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.69 131.11 51.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 -179.972 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.936 HD13 HG21 ' A' ' 63' ' ' ILE . 12.3 pt -141.57 136.11 31.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.713 ' O ' HD11 ' A' ' 104' ' ' ILE . 5.5 p -135.18 159.07 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.529 HD21 ' H ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -59.5 -25.93 64.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -78.54 -33.93 47.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.997 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.431 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.0 t0 -76.69 171.67 14.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.041 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -71.76 119.17 15.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.939 -179.972 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.05 HD12 HG23 ' A' ' 74' ' ' VAL . 4.2 pt -165.43 136.81 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.677 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.88 156.79 30.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.951 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.634 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.98 11.44 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.674 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 14.4 t90 71.62 -61.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 107.981 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.67 ' O ' HG23 ' A' ' 109' ' ' THR . 24.7 t0 -69.74 52.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.695 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.9 p -158.83 -52.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.024 HD22 ' HB3' ' A' ' 114' ' ' GLN . 45.7 mt 5.77 -106.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.889 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.645 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 147.03 -42.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 159.88 -63.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.925 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.517 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 21.2 m -50.16 -21.53 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.024 ' HB3' HD22 ' A' ' 110' ' ' LEU . 4.2 mp0 -89.1 -36.05 15.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.906 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -68.75 -39.83 80.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.62 -20.45 63.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.55 -11.14 32.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.038 -179.995 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.11 HD22 ' CE2' ' A' ' 53' ' ' PHE . 3.8 mt -88.15 1.17 54.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -73.96 -47.57 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.668 ' C ' ' HG2' ' A' ' 121' ' ' ARG . 8.1 m170 -79.18 -108.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.541 -179.926 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.668 ' HG2' ' C ' ' A' ' 120' ' ' HIS . 2.9 mtt-85 -148.45 -70.79 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.467 1.105 . . . . 0.0 110.259 179.978 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.455 ' HB3' ' CG ' ' A' ' 54' ' ' LYS . 39.0 p90 -136.92 8.73 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.5 OUTLIER -162.05 72.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.938 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.599 ' HG2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -66.99 55.53 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.967 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 41.8 25.93 0.25 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.428 ' N ' ' C ' ' A' ' 124' ' ' MET . 0.5 OUTLIER -65.3 -171.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.985 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 . . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER 162.34 43.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 0.0 109.992 179.978 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.757 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -62.05 -176.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 108.298 179.983 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.8 p -132.71 127.94 20.66 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.0 Cg_endo -75.06 109.02 2.85 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.468 1.772 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.755 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.7 p -129.42 -134.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.755 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 33.98 91.01 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.606 179.959 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -7.81 19.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.646 ' NE2' ' HE3' ' A' ' 116' ' ' LYS . 1.5 tt0 -134.91 -44.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.7 mt-30 -58.06 -11.53 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.82 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.38 -36.53 26.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.886 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -87.01 -2.73 58.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.929 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.3 m -106.44 -15.52 14.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.248 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.65 -38.73 10.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.992 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.623 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.65 170.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 88' ' ' GLY . 15.5 m-20 -152.84 17.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.622 HG23 ' HD3' ' A' ' 56' ' ' PRO . 7.1 p -166.3 81.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.016 HG13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.48 120.62 44.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.525 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.8 OUTLIER -143.76 127.62 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.71 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 23.1 mtp180 -77.74 36.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.856 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.7 t -58.8 168.7 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.4 ptmt -126.43 118.91 25.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.847 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -90.55 104.12 16.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.799 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.4 m -106.16 -34.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.923 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.568 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.3 t -109.36 169.95 8.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 110.057 179.908 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.577 ' CG ' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -154.61 151.38 28.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.253 -179.989 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.711 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.5 ttpt -124.46 105.26 9.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 2.1 tt0 -72.6 92.41 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.936 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.43 HG13 ' HG2' ' A' ' 27' ' ' LYS . 32.7 m -106.03 126.13 61.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.481 ' CG ' ' HZ1' ' A' ' 41' ' ' LYS . 1.7 m-20 -69.66 161.06 30.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.429 ' O ' HD12 ' A' ' 40' ' ' ILE . 6.9 t -145.28 17.68 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.92 177.48 49.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.589 1.18 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.52 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.7 m120 -84.25 162.57 20.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.3 t0 -93.97 -162.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.54 0.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -108.16 -1.16 20.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.7 -8.76 76.49 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.52 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.5 p-10 -78.83 153.22 77.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.06 129.57 12.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 31' ' ' SER . 43.3 mt -63.8 -80.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.66 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 10.7 tppt? 70.62 124.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.489 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.38 64.41 1.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.951 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -35.13 144.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.749 ' NE2' ' CZ ' ' A' ' 64' ' ' TYR . 8.0 mm100 -89.34 -179.95 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 1.05 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.6 OUTLIER -136.49 69.43 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.568 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.1 tt0 -64.74 68.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.917 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.013 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.4 pt -64.82 -171.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -124.51 1.91 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.383 179.953 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.501 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 53.17 113.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.536 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -121.91 -33.34 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.511 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -151.98 166.0 32.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.935 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.424 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.82 72.07 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.986 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.71 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 2.5 m-85 -43.79 -72.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -131.65 160.82 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 130.65 -139.65 11.12 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.14 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.728 ' HG3' HD11 ' A' ' 60' ' ' ILE . 18.5 Cg_endo -74.96 -165.17 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.454 1.765 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -108.25 -34.53 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.65 -85.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.9 t70 160.22 163.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.013 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -120.21 72.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.483 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -71.52 -4.56 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 5.6 m-85 -134.42 91.58 2.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 179.939 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.963 HG21 HD13 ' A' ' 98' ' ' ILE . 0.5 OUTLIER -97.81 169.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.749 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 7.8 m-85 -123.64 154.44 39.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 65' ' ' THR . . . . . 1.05 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.7 t -168.55 -161.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.661 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -107.84 152.74 41.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.951 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.04 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.454 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.3 OUTLIER 63.26 -162.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 179.987 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.714 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 30.4 t -82.4 33.88 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 86.58 90.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.351 -179.943 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.76 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -101.54 -28.71 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.76 ' SG ' HG23 ' A' ' 71' ' ' VAL . 10.8 m -138.29 16.49 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.592 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -153.76 -151.88 5.89 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.932 HG23 HD12 ' A' ' 104' ' ' ILE . 82.9 t -118.62 -0.76 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 74' ' ' VAL . 84.2 p 31.67 87.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 179.949 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.107 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -106.32 130.99 54.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.567 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -119.41 -8.1 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.383 179.938 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.968 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.6 t 74.02 -15.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -77.39 -9.97 86.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.481 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -130.33 -33.4 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.527 ' HZ1' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -97.01 -101.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.968 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.63 -71.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.516 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -153.98 159.04 41.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.107 ' CE2' HD13 ' A' ' 76' ' ' LEU . 4.4 p90 -144.35 151.51 39.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.692 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.73 3.01 30.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.21 -179.907 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.1 HD13 ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.64 105.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.957 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.02 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.4 112.39 13.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.591 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.07 179.2 19.2 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.414 1.071 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.727 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 13.4 tttt -57.21 -28.28 62.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 0.821 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 86.65 173.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.573 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 4.5 tt0 -122.14 -39.26 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.227 -179.946 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.14 52.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.159 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.612 ' C ' ' H ' ' A' ' 95' ' ' LYS . 1.5 t0 56.34 157.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.523 ' H ' HD13 ' A' ' 60' ' ' ILE . . . 66.83 -14.7 0.37 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.565 1.166 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.64 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.14 139.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.609 0.829 . . . . 0.0 109.246 -179.924 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.946 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -140.29 -172.27 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.939 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.45 120.64 32.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.937 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.972 HD12 HG13 ' A' ' 86' ' ' ILE . 4.9 pt -131.8 132.61 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -132.73 163.9 27.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.757 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -55.98 -43.85 77.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.433 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -64.47 -33.23 75.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 108.295 -179.946 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.456 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 2.8 t70 -73.97 168.3 19.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.02 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -72.18 116.03 12.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.932 HD12 HG23 ' A' ' 74' ' ' VAL . 5.6 pt -162.96 132.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.611 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.69 158.79 32.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.647 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 12.14 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.794 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.476 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 19.4 t90 70.57 -62.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.058 -179.928 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.562 ' O ' HG23 ' A' ' 109' ' ' THR . 31.0 t0 -70.6 52.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -156.03 -55.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.975 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.839 HD22 ' HB3' ' A' ' 114' ' ' GLN . 43.8 mt 8.95 -106.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.31 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.937 179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.627 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 157.11 -60.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 -179.962 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.762 HG23 ' HE2' ' A' ' 116' ' ' LYS . 23.0 m -54.52 -25.88 28.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.452 -179.965 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.839 ' HB3' HD22 ' A' ' 110' ' ' LEU . 2.1 mp0 -82.15 -34.97 28.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.938 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.634 ' HA ' HD23 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -70.13 -45.3 67.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.762 ' HE2' HG23 ' A' ' 113' ' ' THR . 0.0 OUTLIER -63.35 -9.87 13.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.526 ' CB ' HE21 ' A' ' 9' ' ' GLN . 0.2 OUTLIER -107.7 -26.35 10.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.671 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -79.59 -20.32 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.94 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.592 ' C ' ' OD1' ' A' ' 119' ' ' ASN . 4.7 p30 -84.64 -19.59 32.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.571 ' CG ' ' CB ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -88.37 42.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.586 179.944 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 1.0 OUTLIER 65.46 -96.43 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.662 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 25.5 p90 -151.35 10.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.936 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.662 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.1 OUTLIER 157.81 52.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.263 179.993 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.571 ' CB ' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -71.59 54.26 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 111.044 179.983 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 126' ' ' CYS . . . 58.15 25.45 57.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.511 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -55.84 -169.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.951 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.091 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.445 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -119.57 109.54 38.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.414 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.98 131.37 14.24 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.751 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.2 p -155.05 -133.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.751 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.75 85.58 0.15 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.619 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.427 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -74.97 2.53 6.51 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.421 1.748 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.487 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.4 OUTLIER -139.72 -44.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.6 mt-30 -63.87 -5.24 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.795 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.03 -37.64 23.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.882 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.8 m-85 -87.01 -4.74 59.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -103.55 -15.12 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.338 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.28 -41.65 8.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.544 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.92 174.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.44 15.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.826 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 4.3 p -166.46 86.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.09 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.4 t -97.15 117.29 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.589 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -141.43 125.13 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.733 ' HD2' HD11 ' A' ' 50' ' ' ILE . 3.5 ttm180 -78.15 41.46 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.873 HG21 HD12 ' A' ' 47' ' ' ILE . 1.3 t -64.56 171.9 2.99 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HG2' HG22 ' A' ' 50' ' ' ILE . 16.3 ptmt -126.12 120.08 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.878 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -90.89 108.1 19.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.8 ' CG1' HG11 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -110.08 -36.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -115.74 165.02 13.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.041 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.1 mp0 -149.44 -176.42 5.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.4 ttpt -149.7 111.88 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.577 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 3.0 tt0 -74.09 92.08 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.518 HG13 ' HG2' ' A' ' 27' ' ' LYS . 34.0 m -107.68 114.8 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.54 ' N ' ' HZ3' ' A' ' 41' ' ' LYS . 1.6 m-20 -56.76 160.13 3.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.619 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -144.05 16.77 1.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 78.12 177.64 48.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.052 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.499 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m120 -85.0 162.56 19.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.37 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.2 t0 -93.69 -161.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.776 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.63 0.64 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.61 -0.61 20.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.58 -8.36 77.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.499 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.33 152.69 78.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.99 130.27 13.13 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.458 1.767 . . . . 0.0 111.039 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.619 HG21 ' OG ' ' A' ' 31' ' ' SER . 64.3 mt -66.43 -79.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.577 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.1 tppt? 69.52 126.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.666 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -131.41 67.52 1.51 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.993 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -39.14 140.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.666 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 5.8 mm-40 -82.24 -179.76 7.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.363 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.925 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.44 69.12 1.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.945 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.51 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.9 tt0 -64.43 67.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.404 1.065 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.93 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.6 pt -64.61 -174.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 8.5 ttpt -120.47 -5.2 9.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER 56.7 113.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.733 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -123.23 -30.47 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -149.46 160.85 43.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.402 ' HA ' HG22 ' A' ' 19' ' ' ILE . 10.7 ptt? -145.8 70.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 20' ' ' ARG . 37.9 m-85 -44.73 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.651 ' HB3' HG23 ' A' ' 18' ' ' VAL . 9.7 tptt -124.68 158.96 31.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.477 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 129.04 -143.36 14.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.429 1.081 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.546 ' HG3' HD11 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -74.98 -171.17 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -99.49 -33.7 10.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 110.244 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -72.84 -84.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.1 t70 153.61 165.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.378 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.93 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -117.7 74.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.49 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -66.94 -8.93 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.9 m-85 -131.35 91.96 3.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.061 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -96.09 168.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.626 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 7.4 m-85 -122.08 145.78 47.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.856 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.6 t -162.69 -168.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -99.06 154.66 37.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.993 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.02 -161.01 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.549 1.815 . . . . 0.0 111.061 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.3 -169.84 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 110.066 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.757 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 1.9 t -56.19 -36.72 68.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.943 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 151.88 103.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.401 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -105.67 -39.06 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.818 ' O ' HG22 ' A' ' 99' ' ' THR . 15.4 m -132.35 26.75 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.324 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.622 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -162.21 -158.19 9.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.91 HG23 HD12 ' A' ' 104' ' ' ILE . 84.4 t -116.08 -1.41 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER 32.39 84.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 110.041 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.126 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.91 133.37 49.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -121.09 1.8 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.005 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.1 t 71.36 -55.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.403 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -56.84 -10.61 4.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.443 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.44 -18.43 4.5 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.504 ' O ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -125.65 -94.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.005 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.17 -85.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.581 ' O ' ' O ' ' A' ' 106' ' ' PRO . 6.5 mp0 -145.75 156.42 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.145 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.8 p90 -141.63 151.86 43.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.764 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.42 3.39 28.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.145 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.94 105.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.09 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -132.33 112.45 12.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.514 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.43 172.58 26.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.27 -29.01 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.826 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 79.26 176.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.528 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.3 tp10 -137.02 9.91 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.95 -120.58 3.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.443 1.089 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.19 143.05 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.541 ' H ' HD13 ' A' ' 60' ' ' ILE . . . 77.45 -3.67 58.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.589 1.181 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.826 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -172.43 139.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.899 ' CG ' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -144.32 -171.95 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 111.052 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.84 128.48 50.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.061 HD13 HG21 ' A' ' 63' ' ' ILE . 4.6 pt -141.71 133.86 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.818 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -137.36 165.32 26.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.376 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.489 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -60.14 -45.8 91.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.479 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -64.62 -15.86 61.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 108.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.455 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 11.0 t0 -93.38 171.26 9.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.058 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -72.69 116.05 12.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.91 HD12 HG23 ' A' ' 74' ' ' VAL . 6.5 pt -165.21 132.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.663 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.77 157.26 32.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.6 Cg_endo -74.94 5.32 4.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.048 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.608 ' CZ3' ' CZ ' ' A' ' 20' ' ' ARG . 5.1 t90 77.6 -57.33 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.593 ' O ' HG23 ' A' ' 109' ' ' THR . 22.7 t70 -70.03 51.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.683 ' O ' ' C ' ' A' ' 110' ' ' LEU . 17.3 p -158.89 -56.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.006 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.9 mt 10.63 -107.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 146.55 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.64 -65.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.367 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 50.8 m -49.8 -27.27 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.006 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -83.19 -31.09 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.601 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -74.36 -42.18 59.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.457 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -62.55 -21.75 65.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.656 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.37 -14.01 29.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.57 HD22 ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -75.66 -23.94 56.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.475 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 74.9 p -83.48 116.71 65.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.507 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.02 81.96 2.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.576 1.83 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.767 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.7 p -102.53 -133.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.767 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.5 OUTLIER 40.55 85.15 0.17 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.567 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.8 8.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.517 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.7 OUTLIER -137.13 -46.97 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.501 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -57.53 -10.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.74 -34.48 30.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.883 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -90.43 4.75 50.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.958 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -113.22 -12.45 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.501 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -101.57 -38.57 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.64 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.19 169.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.195 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -150.85 16.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.73 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 12.1 p -165.95 82.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.992 HG13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -95.69 120.04 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.683 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.45 126.01 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.676 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 6.4 mtp180 -77.84 42.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.917 HG21 HD12 ' A' ' 47' ' ' ILE . 2.3 t -63.84 175.02 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.374 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.532 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.7 ptmt -128.1 120.16 26.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.852 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.79 104.03 15.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.898 HG12 HG11 ' A' ' 78' ' ' VAL . 3.5 m -107.64 -36.6 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -112.15 162.89 14.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 110.067 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.88 -174.89 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.642 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.8 ttpt -153.07 115.04 4.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.484 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 6.4 tt0 -75.92 91.1 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.544 HG13 ' HG2' ' A' ' 27' ' ' LYS . 23.3 m -102.46 105.85 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.449 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -52.9 151.32 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.603 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.5 t -137.33 22.18 2.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 109.955 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.96 -179.35 31.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.519 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.8 m-20 -84.26 164.39 19.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.74 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.21 -161.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.235 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.768 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.99 0.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -108.27 -0.2 20.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.99 -7.92 78.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -79.2 153.96 77.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.11 129.25 12.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.603 HG21 ' OG ' ' A' ' 31' ' ' SER . 50.7 mt -66.14 -81.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.649 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 11.1 tppt? 71.17 124.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.354 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.651 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.81 65.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.959 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.29 145.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.651 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 8.0 mm-40 -86.57 -178.73 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.98 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.93 67.59 1.42 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 9.8 tt0 -63.02 68.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.917 HD12 HG21 ' A' ' 21' ' ' THR . 2.8 pt -65.24 -176.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.509 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.1 ttpt -122.24 -0.67 9.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.509 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.41 124.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.589 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -132.7 -32.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.396 1.06 . . . . 0.0 109.273 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.569 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -149.92 168.25 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.542 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -147.03 70.25 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.04 ' CE2' HD22 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -39.54 -76.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 110.99 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -130.03 66.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.4 -156.33 9.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.505 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.99 -174.4 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.54 1.811 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.43 -35.76 19.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -82.75 -79.09 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.9 t70 154.82 171.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.629 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.7 mm -96.71 -72.2 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER 74.53 -7.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.252 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.555 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.2 m-85 -147.85 98.97 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.077 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -108.5 169.46 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.359 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.631 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.2 m-85 -123.48 148.47 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.89 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.8 t -165.34 -167.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.708 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -98.08 154.59 37.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.959 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.05 -164.0 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 111.065 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.25 -169.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.756 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 24.2 p -54.11 -41.52 68.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 155.35 109.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.595 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -113.45 -42.11 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.815 ' HA ' HD22 ' A' ' 100' ' ' LEU . 17.8 m -122.26 12.31 10.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.739 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -154.84 -156.22 7.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.837 HG23 HD12 ' A' ' 104' ' ' ILE . 89.0 t -114.74 -3.96 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 35.86 85.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.09 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.71 131.4 50.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 109.264 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.513 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -116.0 -2.86 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.096 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 72.69 -54.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.14 -13.02 0.9 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.551 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.3 -31.36 1.7 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.551 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -109.01 -96.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.257 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.096 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.7 -83.66 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.58 ' O ' ' O ' ' A' ' 106' ' ' PRO . 3.3 mp0 -147.22 152.01 37.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.164 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -134.62 154.48 51.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.713 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.72 3.16 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.164 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.88 102.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.992 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -127.59 110.56 12.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.525 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.56 177.44 22.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.565 1.166 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.624 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -47.48 -31.58 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.73 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 78.6 174.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.3 tp10 -134.4 7.17 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.6 -120.48 3.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.45 146.19 52.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 73.22 0.61 53.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.629 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.84 143.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.697 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.96 -169.15 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 128.24 42.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.077 HD13 HG21 ' A' ' 63' ' ' ILE . 2.3 pt -140.04 142.34 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.513 ' OG1' ' HB2' ' A' ' 102' ' ' ASP . 0.7 OUTLIER -139.44 166.22 25.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.815 HD22 ' HA ' ' A' ' 72' ' ' CYS . 1.1 pt? -61.01 -50.3 73.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.536 ' H ' HD23 ' A' ' 100' ' ' LEU . 6.1 t -61.8 -16.47 50.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.513 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.3 t0 -88.46 167.74 13.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.964 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.68 113.2 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 111.022 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.837 HD12 HG23 ' A' ' 74' ' ' VAL . 7.4 pt -161.85 131.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.692 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -151.96 157.29 34.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.596 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.89 10.29 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.576 1.829 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.676 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 13.4 t90 71.94 -58.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.038 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.663 ' O ' HG23 ' A' ' 109' ' ' THR . 37.9 t70 -69.7 52.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.685 ' O ' ' C ' ' A' ' 110' ' ' LEU . 6.2 p -159.36 -55.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.022 HD22 ' HB3' ' A' ' 114' ' ' GLN . 47.4 mt 8.2 -107.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 147.87 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.052 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.605 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 159.36 -67.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 110.475 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.542 ' N ' HG22 ' A' ' 112' ' ' THR . 5.2 m -47.66 -26.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.022 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -83.23 -32.65 26.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.962 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -72.71 -41.34 65.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.434 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.92 -18.55 64.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.3 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.613 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.14 -12.49 30.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.919 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.04 HD22 ' CE2' ' A' ' 53' ' ' PHE . 27.2 mt -75.46 -27.69 59.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.402 ' OD1' ' HA ' ' A' ' 116' ' ' LYS . 4.0 p-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.375 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.63 ' O ' HD11 ' A' ' 100' ' ' LEU . 7.7 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -104.06 112.21 65.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.049 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 125.86 9.64 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.465 1.771 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.723 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.4 p -151.05 -131.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.723 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 37.86 84.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.576 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.426 ' O ' HG22 ' A' ' 113' ' ' THR . 18.5 Cg_endo -74.91 0.87 8.33 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 113' ' ' THR . 0.4 OUTLIER -137.46 -43.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.9 mt-30 -65.25 -4.96 5.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.789 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.31 -37.07 23.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.857 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.9 m-85 -87.97 2.19 52.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -111.55 -14.83 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 108.338 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.53 -39.82 8.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.565 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -55.07 172.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -150.23 14.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.851 HG21 ' SD ' ' A' ' 96' ' ' MET . 10.4 p -165.71 89.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.995 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -100.61 120.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.574 HD11 ' HE2' ' A' ' 96' ' ' MET . 1.0 OUTLIER -145.86 125.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.669 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.8 mtp180 -76.76 37.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.951 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.1 t -60.64 165.93 3.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.485 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 17.7 ptmt -120.8 120.32 35.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.84 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.34 103.53 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.705 ' CG1' HG11 ' A' ' 78' ' ' VAL . 3.5 m -107.31 -34.2 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.527 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -115.77 165.37 13.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -149.44 -174.01 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.338 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.688 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.9 ttpt -155.25 116.89 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 9.7 tt0 -77.56 92.37 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.534 HG13 ' HG2' ' A' ' 27' ' ' LYS . 22.5 m -103.89 119.31 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.87 158.55 15.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.636 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -145.3 19.25 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.957 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 74.7 177.72 39.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.1 m120 -84.73 163.07 19.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.246 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.3 t0 -94.29 -161.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.83 0.68 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -108.58 0.02 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.47 -8.51 74.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -78.54 153.35 78.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 129.85 12.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.539 1.81 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.636 HG21 ' OG ' ' A' ' 31' ' ' SER . 42.9 mt -65.41 -78.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.664 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.3 tppt? 69.47 125.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.654 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -130.67 65.74 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.89 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -35.28 150.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.688 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.7 mm-40 -92.49 178.96 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.902 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.06 69.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 13.5 tt0 -63.48 67.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.951 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -65.94 -173.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.615 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.7 ttmt -122.81 9.57 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.615 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.0 mm100 37.4 103.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.485 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -112.75 -32.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.543 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -145.23 163.6 33.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 52' ' ' MET . 2.1 ptp -144.17 69.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.023 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -36.34 -79.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.952 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.643 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -127.89 73.72 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.01 -162.77 11.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.696 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.02 -175.44 2.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.87 -33.06 14.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.638 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -72.12 -78.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.638 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.2 t70 146.13 165.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.653 HG21 ' CG ' ' A' ' 96' ' ' MET . 0.8 OUTLIER -109.67 -79.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER 76.9 -10.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 1.5 m-85 -141.37 94.04 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.093 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.961 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -99.94 168.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.64 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.2 m-85 -120.7 149.25 42.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.834 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.3 t -163.73 -164.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.399 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.707 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.81 152.61 38.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.89 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.96 -160.05 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 61.78 -161.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.716 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 44.5 t -81.53 30.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 87.63 97.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.596 1.185 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.618 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -107.26 -36.0 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.707 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 8.4 m -124.62 8.8 8.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.617 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -149.55 -153.79 6.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.557 1.16 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.898 HG23 HD12 ' A' ' 104' ' ' ILE . 81.9 t -113.49 -0.6 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.676 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER 30.71 83.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.932 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.143 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.17 141.7 35.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -125.41 0.49 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.705 HG11 ' CG1' ' A' ' 24' ' ' VAL . 3.1 t 68.57 -56.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -49.36 -14.59 0.58 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.452 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -116.07 -24.23 3.96 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.08 -91.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.92 -59.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.4 OUTLIER -172.71 168.02 5.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.241 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.143 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.2 p90 -152.08 153.84 34.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.77 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.54 1.48 41.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.125 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.23 99.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.054 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.23 106.39 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.605 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -139.67 165.7 25.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.608 1.193 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.3 tttm -39.2 -31.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 83.86 179.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.572 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -133.26 -41.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 174.29 -141.44 5.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.577 1.173 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -106.96 129.23 54.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 0.764 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 84.99 -2.36 88.35 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.539 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -170.26 139.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.616 0.833 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.851 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -136.75 -157.66 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -143.05 125.62 15.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.973 HD12 HG13 ' A' ' 86' ' ' ILE . 2.0 pt -139.35 145.49 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.216 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.61 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.7 OUTLIER -141.32 164.42 30.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.63 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -59.89 -41.68 92.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.52 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -66.77 -31.29 71.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 108.3 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.492 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.3 t0 -74.68 167.89 20.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.054 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.1 117.25 12.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.898 HD12 HG23 ' A' ' 74' ' ' VAL . 6.1 pt -164.4 134.36 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.703 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.47 158.16 32.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.6 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.03 10.41 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.669 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 15.9 t90 72.26 -60.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 107.986 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.672 ' O ' HG23 ' A' ' 109' ' ' THR . 16.1 t0 -69.28 53.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.674 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.4 p -159.05 -56.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.977 HD22 ' HB3' ' A' ' 114' ' ' GLN . 55.3 mt 11.13 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.177 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 146.14 -40.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.38 -64.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.47 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 23.1 m -49.84 -27.07 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.977 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -83.42 -33.66 25.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.618 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -72.67 -41.44 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.454 ' O ' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -62.43 -20.28 64.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.643 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.37 -13.39 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.023 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 45.4 mt -71.05 -30.03 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 18.4 p30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.814 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -120.62 124.07 27.76 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.914 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -75.04 118.27 5.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.525 1.803 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.714 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.2 p -139.49 -132.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.714 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 35.89 88.45 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' HG22 ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.02 -5.33 16.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -134.91 -42.61 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.348 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 5.1 mt-30 -63.49 -5.81 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.784 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.16 -38.07 22.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.863 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.8 m-85 -86.42 -2.67 58.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.64 -17.31 14.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.6 -37.94 10.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.565 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -57.23 174.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 88' ' ' GLY . 5.2 m-20 -157.1 16.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.871 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 6.3 p -165.69 80.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.363 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.948 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.2 118.75 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.598 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -144.21 123.69 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.625 ' NH1' ' CZ2' ' A' ' 107' ' ' TRP . 6.4 mtm180 -75.67 40.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.8 HG21 HD12 ' A' ' 47' ' ' ILE . 2.0 t -62.3 175.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.568 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.8 ptmt -129.54 120.04 24.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.601 1.188 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.781 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.28 98.6 11.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.403 1.064 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.769 HG12 HG11 ' A' ' 78' ' ' VAL . 3.0 m -99.24 -40.46 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.488 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.0 t -112.03 167.36 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.5 mp0 -148.38 -176.84 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -150.25 114.05 5.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.498 ' HG2' ' HZ2' ' A' ' 41' ' ' LYS . 7.1 tt0 -75.56 93.2 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.539 HG13 ' HG2' ' A' ' 27' ' ' LYS . 21.8 m -103.67 124.78 58.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.14 158.56 30.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.599 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.0 t -146.2 19.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 75.48 178.65 43.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.53 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.4 m-20 -83.98 162.7 20.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.14 -161.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.795 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.4 mp -80.6 0.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.75 0.3 20.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.168 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.3 -8.18 75.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.53 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.9 p-10 -79.34 155.11 76.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.539 0.788 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 129.69 12.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 31' ' ' SER . 54.6 mt -64.23 -79.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.632 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 13.3 tppt? 70.8 123.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.658 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -128.86 64.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.974 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -34.69 148.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.698 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.6 mm-40 -92.02 -178.99 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.957 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.93 69.12 1.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.488 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.6 tt0 -62.08 71.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.8 HD12 HG21 ' A' ' 21' ' ' THR . 1.6 pt -67.15 -169.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -130.29 2.84 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.514 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 52.18 112.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.559 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -122.14 -27.88 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -155.68 166.74 32.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.475 ' HA ' HG22 ' A' ' 19' ' ' ILE . 4.8 ptm -146.12 71.85 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.03 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -41.72 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.37 66.19 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.6 -156.82 10.28 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.602 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.95 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.049 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -92.62 -35.5 13.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -80.89 -80.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 6.1 t0 155.64 170.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.375 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.647 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -101.02 -69.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.177 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.574 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.3 mt-10 71.81 -6.8 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.609 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -150.03 100.34 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.988 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -106.1 166.27 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.633 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 20.1 m-85 -118.01 149.84 40.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.796 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.0 t -165.5 -166.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.14 151.05 39.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.974 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.93 -158.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.476 1.777 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 54.18 -170.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.0 p -70.35 53.56 0.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.574 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 58.58 101.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.242 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.547 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -107.31 -35.1 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.677 ' O ' HG22 ' A' ' 99' ' ' THR . 68.3 m -131.02 17.21 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.352 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.574 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -153.06 -155.61 7.21 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.436 1.085 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.97 HG23 HD12 ' A' ' 104' ' ' ILE . 64.8 t -113.87 0.02 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 74' ' ' VAL . 28.9 p 30.61 81.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.937 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.099 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.02 133.2 48.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.377 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.565 ' C ' ' H ' ' A' ' 79' ' ' GLY . 0.1 OUTLIER -117.21 -10.42 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.034 HG22 ' O ' ' A' ' 82' ' ' LYS . 2.0 t 73.34 -15.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.565 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -76.95 -5.64 84.86 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.529 1.143 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.497 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -133.33 -31.99 0.4 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.557 ' HZ1' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -98.77 -100.87 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.781 . . . . 0.0 109.37 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.034 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 170.04 -75.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.579 ' O ' ' O ' ' A' ' 106' ' ' PRO . 16.4 mp0 -153.07 159.7 42.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.163 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -139.99 154.12 47.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.748 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.54 3.83 34.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.163 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.72 103.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.03 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.34 112.42 13.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.43 -177.83 20.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.603 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 5.6 mttt -52.58 -28.49 21.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.871 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 77.33 174.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.524 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.3 tp10 -134.3 6.73 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.85 -119.73 3.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -131.77 144.49 50.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.6 -2.92 61.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.647 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.69 147.29 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.723 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -149.86 -169.5 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.5 131.55 52.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.528 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.988 HD13 HG21 ' A' ' 63' ' ' ILE . 12.6 pt -144.49 137.38 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -138.45 161.22 37.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.431 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.814 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -56.15 -45.41 79.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -63.28 -32.15 73.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.475 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.6 t0 -75.14 169.23 18.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.271 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.03 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -71.9 117.27 13.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.97 HD12 HG23 ' A' ' 74' ' ' VAL . 4.9 pt -165.18 133.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.631 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.02 157.73 31.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.579 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.2 Cg_endo -75.02 8.61 2.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.625 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 13.5 t90 73.61 -58.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 107.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.639 ' O ' HG23 ' A' ' 109' ' ' THR . 12.1 t0 -69.82 51.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.3 p -158.82 -56.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.935 HD22 ' HB3' ' A' ' 114' ' ' GLN . 35.6 mt 9.18 -108.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.3 m 148.12 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.06 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.27 -66.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.515 ' N ' HG22 ' A' ' 112' ' ' THR . 3.5 m -48.91 -25.89 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.935 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -84.14 -33.02 24.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -73.35 -41.5 63.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.421 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -61.85 -19.36 62.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.721 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.31 -5.16 50.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.997 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.03 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 55.4 mt -81.38 -27.66 34.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.1 p30 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.689 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.467 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 79.1 p -88.9 130.7 43.81 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 110.019 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.444 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.7 Cg_endo -74.87 85.77 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.617 1.851 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.734 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.9 p -104.26 -133.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.734 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.52 86.64 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.591 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.04 -20.9 16.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.569 1.826 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.511 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.4 OUTLIER -120.42 -42.17 2.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.4 mt-30 -63.13 -5.32 3.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.758 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.74 -38.89 20.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.92 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -87.24 3.35 46.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.938 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.17 -15.56 13.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 108.249 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.56 -39.74 8.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.554 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.6 173.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -151.34 14.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.799 HG21 ' SD ' ' A' ' 96' ' ' MET . 11.0 p -165.75 89.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.015 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -100.57 116.11 43.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.561 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -141.63 125.8 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.595 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -77.73 42.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.916 HG21 HD12 ' A' ' 47' ' ' ILE . 2.5 t -64.81 175.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HG2' HG22 ' A' ' 50' ' ' ILE . 15.8 ptmt -128.93 120.62 26.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.816 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.26 108.25 19.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.815 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.4 m -111.95 -35.98 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -115.39 164.92 13.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.98 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.7 mp0 -149.8 179.6 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.0 ttpt -144.74 111.78 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.663 ' HG3' HD11 ' A' ' 43' ' ' ILE . 4.0 tt0 -74.04 92.35 2.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.51 HG13 ' HG2' ' A' ' 27' ' ' LYS . 30.0 m -108.78 112.3 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.518 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.1 m-20 -56.59 160.77 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.56 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.5 t -143.74 17.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.973 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.405 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 77.98 176.68 46.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.533 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.2 m120 -84.26 162.41 20.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.744 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -93.92 -161.64 0.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.761 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -80.56 0.4 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -107.91 -1.22 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.7 -8.39 77.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.533 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -78.19 151.71 78.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.556 0.797 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.97 129.06 12.01 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.56 HG21 ' OG ' ' A' ' 31' ' ' SER . 73.0 mt -65.57 -80.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.538 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 17.6 tppt? 68.87 126.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.658 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.49 68.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.957 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.51 141.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.658 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 6.7 mm-40 -83.23 179.77 7.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.354 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.927 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.28 69.63 1.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.0 tt0 -63.62 68.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.916 HD12 HG21 ' A' ' 21' ' ' THR . 3.0 pt -65.26 -173.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.546 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.2 ttpt -125.22 1.52 7.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.546 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 54.94 125.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.622 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -134.32 -34.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.7 tttt -146.67 162.44 38.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 ptm -144.26 65.13 1.3 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.626 ' CE1' HD22 ' A' ' 118' ' ' LEU . 43.6 m-85 -41.82 -80.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -121.16 69.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.8 -160.24 10.24 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.617 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.95 -174.28 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.408 1.741 . . . . 0.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.77 -33.49 14.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -78.44 -80.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.2 t70 151.94 169.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.586 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.3 mm -102.38 -71.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.544 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.3 -8.24 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.608 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -149.36 97.49 2.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.002 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -103.56 170.11 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.708 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -120.87 146.48 46.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 111.032 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.789 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.2 t -161.71 -160.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.351 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.75 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -109.04 153.38 42.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.221 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.957 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.01 -158.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.445 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 59.71 -161.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.995 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.724 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 26.1 t -81.13 30.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.949 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 88.38 94.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.728 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -107.16 -28.13 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.819 ' O ' HG22 ' A' ' 99' ' ' THR . 4.5 m -133.99 12.03 3.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.596 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.63 -153.11 6.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.888 HG23 HD12 ' A' ' 104' ' ' ILE . 78.0 t -114.94 0.33 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 0.776 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 74' ' ' VAL . 32.7 p 33.36 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.122 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.45 135.68 45.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.501 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -124.83 0.46 8.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.055 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.5 t 71.83 -54.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.44 -10.58 2.11 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.438 ' C ' ' HD3' ' A' ' 81' ' ' LYS . . . -119.75 -25.83 2.49 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.493 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -117.23 -94.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.055 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.88 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.8 mp0 -146.78 160.6 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.143 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.1 p90 -146.69 153.43 40.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.802 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.64 2.72 32.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.143 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.94 100.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.045 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.76 108.29 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.513 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.36 172.27 23.92 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.63 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -45.1 -28.73 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 0.813 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 79.29 178.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.583 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.6 tp10 -132.51 -37.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.96 -135.69 3.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' N ' ' HE2' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -111.43 134.26 53.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.13 -5.89 69.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -168.84 144.11 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.746 . . . . 0.0 109.283 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.799 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -141.21 -158.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.708 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -138.99 124.84 19.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.546 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.002 HD13 HG21 ' A' ' 63' ' ' ILE . 1.9 pt -138.82 151.36 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.819 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -148.71 164.3 34.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 110.417 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.689 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER -59.65 -50.73 72.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.637 ' H ' HD23 ' A' ' 100' ' ' LEU . 5.7 t -61.15 -19.25 61.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 108.263 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.42 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 10.0 t0 -86.79 167.86 14.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.045 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.77 115.79 10.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.888 HD12 HG23 ' A' ' 74' ' ' VAL . 6.4 pt -165.09 132.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.654 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.72 156.56 32.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.56 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.13 5.36 4.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.563 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 3.1 t90 78.06 -57.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 107.976 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.599 ' O ' HG23 ' A' ' 109' ' ' THR . 25.9 t0 -69.9 50.65 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 18.1 p -159.08 -57.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.032 HD22 ' HB3' ' A' ' 114' ' ' GLN . 45.0 mt 11.84 -107.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.83 -41.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.589 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.63 -65.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 35.2 m -49.78 -26.41 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.032 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -83.43 -33.08 25.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.633 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -73.25 -41.1 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.372 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.437 ' O ' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.83 -20.28 65.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.64 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.89 -12.83 26.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.626 HD22 ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -75.1 -28.41 60.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.389 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 116' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.0 p -123.52 113.06 29.18 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 130.73 13.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.73 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.4 p -154.7 -133.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.73 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 35.05 88.59 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.645 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 2.34 6.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.787 . . . . 0.0 110.996 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.492 ' HB2' HG22 ' A' ' 113' ' ' THR . 9.9 tp-100 -137.8 -42.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.515 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.61 -7.14 9.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.78 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.2 -32.54 26.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.87 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.4 m-85 -92.0 -3.1 56.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -105.01 -9.77 17.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 108.282 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -103.75 -41.33 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.579 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.51 173.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER -154.22 16.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.672 HG23 ' HD3' ' A' ' 56' ' ' PRO . 13.7 p -165.6 82.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.982 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -96.01 119.07 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.652 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -144.56 123.78 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.639 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.3 mtp180 -75.07 39.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.863 ' OG1' HD12 ' A' ' 47' ' ' ILE . 1.8 t -60.59 173.51 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.634 ' HG2' HG22 ' A' ' 50' ' ' ILE . 16.2 ptmt -129.18 118.8 22.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.805 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -90.43 103.43 16.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.716 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.2 m -104.72 -35.58 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.174 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.472 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.9 t -117.24 169.43 9.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.044 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.2 mp0 -150.65 -177.43 5.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.9 ttpt -148.79 110.59 4.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' CG ' ' HE3' ' A' ' 41' ' ' LYS . 8.1 tt0 -74.19 90.06 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.554 HG23 ' HG3' ' A' ' 42' ' ' ARG . 34.3 m -103.23 125.29 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.38 160.06 28.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.742 ' O ' HD12 ' A' ' 40' ' ' ILE . 9.4 t -146.22 19.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.59 177.07 46.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.55 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 6.1 m-20 -83.6 163.35 20.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t70 -94.48 -161.6 0.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.82 1.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.54 -1.09 19.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.62 -8.21 78.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.55 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.1 p-10 -79.31 154.86 76.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.09 131.16 13.87 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.456 1.766 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.742 HD12 ' O ' ' A' ' 31' ' ' SER . 96.5 mt -64.74 -81.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.23 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.641 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.7 tppt? 72.96 124.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.674 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -129.84 66.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.006 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -37.61 143.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.674 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.9 mm-40 -86.64 -178.66 6.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.986 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.4 OUTLIER -137.03 66.02 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.8 tt0 -61.29 74.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.863 HD12 ' OG1' ' A' ' 21' ' ' THR . 2.3 pt -69.12 -168.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.579 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -129.98 7.1 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.579 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 49.07 114.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.639 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -122.76 -27.54 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.549 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -156.36 169.13 25.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.478 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -146.7 68.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.119 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -40.19 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.568 1.167 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.562 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -129.79 65.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 109.32 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.11 -157.89 10.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.1 -172.89 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.79 -34.92 15.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.43 -79.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.3 t70 153.5 170.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.604 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -101.83 -72.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.56 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.3 mt-10 73.73 -8.0 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.603 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -149.23 99.58 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.944 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.058 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -103.24 170.13 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.758 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -121.8 151.88 40.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.986 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.0 t -167.59 -159.35 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.663 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -110.42 152.66 43.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.006 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.01 -160.33 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.33 -170.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t -71.1 55.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 75' ' ' SER . . . 58.54 102.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.561 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -111.59 -32.23 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.387 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.663 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 8.7 m -128.38 7.75 5.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.562 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -147.21 -151.75 5.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.923 HG23 HD12 ' A' ' 104' ' ' ILE . 94.1 t -117.59 6.6 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.665 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 28.05 86.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.931 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.96 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -106.56 132.8 52.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.462 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -120.87 2.9 10.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.716 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.7 t 68.33 -57.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -56.25 -10.45 3.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.427 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -118.66 -18.33 4.85 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -121.77 -88.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 0.8 . . . . 0.0 109.345 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 160.76 -68.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.542 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -165.75 162.12 18.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.358 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.154 ' CG ' HD13 ' A' ' 86' ' ' ILE . 3.1 p90 -146.7 151.91 37.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.759 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.39 3.89 29.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.154 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.96 103.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.056 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.44 111.68 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.502 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.98 -175.53 18.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.7 mtpt -53.29 -36.41 61.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 0.789 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.47 173.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.4 tp10 -132.21 4.18 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.74 -120.53 3.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.7 140.83 49.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 81.16 -3.8 74.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.604 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.93 143.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.74 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.13 -168.7 3.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.758 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -128.83 128.29 43.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.583 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.058 HD13 HG21 ' A' ' 63' ' ' ILE . 4.9 pt -140.47 145.18 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.581 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.6 OUTLIER -141.74 163.7 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.422 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.595 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -58.51 -46.15 87.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.206 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.45 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -62.68 -31.86 72.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 108.324 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.439 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.5 t0 -73.95 167.85 20.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.056 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -71.03 118.08 13.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.923 HD12 HG23 ' A' ' 74' ' ' VAL . 6.5 pt -165.38 134.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.695 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.74 158.47 32.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.601 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.0 10.81 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.639 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 18.3 t90 71.07 -59.87 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 107.961 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.626 ' O ' HG23 ' A' ' 109' ' ' THR . 33.4 t70 -69.72 52.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.681 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.7 p -157.73 -55.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.019 HD22 ' HB3' ' A' ' 114' ' ' GLN . 50.7 mt 9.73 -107.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.97 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.397 1.061 . . . . 0.0 110.015 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.53 -62.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.511 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 27.4 m -49.65 -24.03 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.019 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -87.95 -37.19 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.662 ' HG3' HD13 ' A' ' 110' ' ' LEU . 2.0 mtmt -68.12 -37.54 81.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.511 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -63.55 -19.89 65.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.663 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -90.04 -22.84 21.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.119 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 72.5 mt -61.54 -22.7 65.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.9 p -103.43 107.72 56.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -75.01 123.96 8.26 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.754 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.6 p -149.56 -132.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.754 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.51 85.06 0.17 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.623 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.439 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.4 Cg_endo -74.97 1.11 8.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 113' ' ' THR . 0.3 OUTLIER -138.35 -43.1 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.3 mt-30 -64.93 -5.27 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.827 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.79 -37.75 24.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.853 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.9 m-85 -87.4 1.81 52.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.1 m -111.2 -15.22 13.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 108.335 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.1 -39.06 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.58 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -56.25 170.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -148.39 14.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.784 HG23 ' HD3' ' A' ' 56' ' ' PRO . 11.1 p -165.74 89.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.023 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -101.39 118.09 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.652 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.7 OUTLIER -143.72 125.25 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.675 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 3.7 mtp180 -77.27 39.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.96 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.82 170.68 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.472 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 16.2 ptmt -124.41 121.69 35.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.86 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.66 104.25 16.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.68 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.5 m -107.16 -36.48 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.518 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -114.41 166.85 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.078 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.8 mp0 -149.97 -179.78 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -148.36 113.98 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.44 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 7.3 tt0 -75.17 90.78 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.56 HG13 ' HG2' ' A' ' 27' ' ' LYS . 10.0 m -97.2 94.57 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.502 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -45.11 146.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.652 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -133.22 15.5 4.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.19 -174.43 37.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.2 m120 -84.27 165.44 18.32 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -95.46 -161.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.78 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.56 1.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.598 1.186 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.78 -0.63 19.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.87 -8.77 76.79 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.41 153.88 79.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.5 Cg_endo -74.92 129.65 12.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.652 HG21 ' OG ' ' A' ' 31' ' ' SER . 52.8 mt -70.91 -84.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.548 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.03 124.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.605 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -129.74 68.05 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.952 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -41.46 145.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.644 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.2 mm-40 -88.37 -177.15 5.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.932 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -137.43 68.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.552 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 13.6 tt0 -62.73 68.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.96 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.2 pt -66.44 -176.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.8 ttpt -118.51 -4.59 10.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.51 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.8 mm100 54.99 114.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.472 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -122.18 -35.36 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.541 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -145.49 160.82 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.492 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -140.21 68.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.974 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -35.94 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.618 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -126.93 70.08 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.17 -163.09 12.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.784 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.08 -170.59 0.81 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.29 -33.23 12.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.655 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.4 -81.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.655 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 151.11 164.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.641 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -106.87 -78.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.539 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.01 -7.04 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.584 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -146.11 96.28 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.033 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -100.67 172.49 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.658 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.17 153.43 41.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.861 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.5 t -170.81 -164.55 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.616 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -105.64 153.56 39.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.952 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.01 -160.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.35 -160.18 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.975 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.659 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 66.1 p -81.63 32.89 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 82.29 101.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.545 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -109.84 -40.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.677 ' HA ' HD22 ' A' ' 100' ' ' LEU . 16.7 m -121.46 13.34 10.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.542 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.33 -152.65 6.01 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.073 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.957 HG23 HD12 ' A' ' 104' ' ' ILE . 47.9 t -115.62 3.84 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.552 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 8.3 p 27.74 82.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.936 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.133 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.48 141.33 36.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.491 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -125.99 0.53 7.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.68 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.8 t 69.62 -56.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -55.1 -11.83 3.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.45 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -117.69 -16.28 6.0 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.44 -89.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 160.99 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.502 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -169.23 168.43 9.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.161 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -152.14 152.66 32.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.789 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.25 2.71 34.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.161 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.91 100.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.031 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.91 101.92 6.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.504 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -156.93 162.81 31.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -36.31 96.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.686 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -60.58 176.26 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.528 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.7 tp10 -124.85 4.35 8.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.17 -115.61 1.68 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.83 139.68 40.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.487 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 82.03 -2.16 84.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.589 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.39 142.84 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.766 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.5 -169.58 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.447 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -126.48 133.49 51.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.575 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.033 HD13 HG21 ' A' ' 63' ' ' ILE . 12.9 pt -144.45 142.08 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.645 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.8 OUTLIER -140.33 161.0 38.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.677 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -57.08 -43.69 82.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.252 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -63.22 -33.6 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 108.344 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.431 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.5 t0 -73.81 167.57 21.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.031 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.64 119.09 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.957 HD12 HG23 ' A' ' 74' ' ' VAL . 4.2 pt -165.8 135.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.715 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.84 158.8 32.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.613 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.02 10.12 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.675 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.6 t90 71.91 -59.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.649 ' O ' HG23 ' A' ' 109' ' ' THR . 42.8 t0 -70.35 52.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.651 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.0 p -158.43 -59.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.926 HD22 ' HB3' ' A' ' 114' ' ' GLN . 54.1 mt 15.18 -107.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.24 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.95 -65.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.479 ' N ' HG22 ' A' ' 112' ' ' THR . 24.1 m -49.48 -27.48 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.926 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -82.57 -32.86 28.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -73.16 -42.6 62.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.29 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.428 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -60.89 -20.84 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.661 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.63 -15.15 33.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.974 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 63.4 mt -71.76 -20.15 61.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 119' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.453 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 9.6 p -88.49 113.85 57.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 103.25 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.738 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.2 p -126.34 -131.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.738 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 41.31 82.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.568 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.73 6.32 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.425 HE22 ' CD ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -139.09 -44.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 8.9 mt-30 -63.65 -6.24 5.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.816 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.15 -38.11 22.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.932 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -86.63 1.05 53.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.42 -13.96 14.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.275 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -98.0 -37.85 9.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.637 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -55.72 171.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.03 15.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.727 HG23 ' HD3' ' A' ' 56' ' ' PRO . 14.6 p -166.42 84.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.975 HG13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.75 120.94 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.696 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.0 OUTLIER -145.19 124.89 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.696 ' CZ ' ' CZ2' ' A' ' 107' ' ' TRP . 16.9 mtp180 -77.29 40.51 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.941 HG21 HD12 ' A' ' 47' ' ' ILE . 2.3 t -62.97 175.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.467 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.525 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.7 ptmt -129.02 120.66 26.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.833 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.5 103.15 15.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.639 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.9 m -105.08 -37.04 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.513 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -113.37 166.0 11.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.413 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 2.6 mp0 -150.85 -175.18 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.206 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.09 112.31 4.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.226 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.547 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.2 tt0 -75.97 90.08 2.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.594 HG23 ' HG3' ' A' ' 42' ' ' ARG . 16.8 m -97.5 79.67 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' OD1' ' OE1' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -44.61 142.39 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.7 t -127.94 30.19 5.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.51 -169.14 6.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.9 m120 -83.9 164.39 19.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.6 t70 -94.78 -161.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.769 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.99 1.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -109.0 -1.23 19.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.08 -8.72 77.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.8 p-10 -78.39 153.37 79.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.566 0.804 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.04 128.96 11.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.45 HG21 ' OG ' ' A' ' 31' ' ' SER . 23.4 mt -73.8 -95.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.485 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 25.6 ttmt 72.54 124.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.628 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.5 ptt85 -127.79 72.94 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.957 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -45.0 143.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.632 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.6 mm-40 -86.55 -178.81 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 1.012 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -137.77 67.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.513 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.8 tt0 -63.12 70.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.941 HD12 HG21 ' A' ' 21' ' ' THR . 3.5 pt -67.87 -177.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.0 ttpt -120.44 -3.35 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.525 ' HG3' ' OD1' ' A' ' 59' ' ' ASP . 15.1 mm100 58.2 123.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.608 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -130.79 -37.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -149.85 154.58 38.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.503 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -132.66 72.84 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.909 ' CE2' HD22 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -37.81 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -135.81 76.3 1.6 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.32 -162.65 11.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.578 1.174 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.727 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.96 -175.77 2.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -90.04 -32.57 16.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.592 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.07 -79.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.649 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 4.2 t0 148.12 168.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.664 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -108.56 -76.98 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.537 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 2.1 mt-10 72.87 -9.12 1.15 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.524 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.2 m-85 -141.93 95.42 2.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.077 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -102.77 166.59 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.623 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.2 m-85 -120.36 157.66 28.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.189 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 1.012 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.6 t -172.88 -161.97 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.678 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -111.02 152.32 43.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.957 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.06 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 68.09 -159.11 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.708 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 46.2 t -81.78 28.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.952 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 85.7 96.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.628 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -104.32 -49.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.755 ' O ' HG22 ' A' ' 99' ' ' THR . 3.8 m -109.76 9.36 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.552 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.33 -152.88 5.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.842 HG23 ' CD1' ' A' ' 104' ' ' ILE . 70.6 t -117.55 2.26 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.647 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER 31.54 86.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.946 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -104.67 136.82 43.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.505 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -120.71 -5.39 9.7 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.639 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.9 t 69.64 -55.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -48.07 -13.93 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -117.87 -27.72 2.44 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -107.17 -94.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.533 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 165.7 -63.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.533 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -167.11 168.04 13.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.253 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.175 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -150.15 154.03 37.34 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.778 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.61 2.27 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.175 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.65 100.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.987 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.49 111.34 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.544 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.46 174.55 24.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.415 1.072 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.676 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.84 -34.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 0.0 109.383 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.687 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 82.19 173.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.531 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.7 OUTLIER -131.65 3.13 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.245 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.15 -120.47 3.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.96 143.22 50.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.494 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.77 -3.18 65.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.664 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.33 141.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.73 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.44 -168.46 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.92 128.25 43.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.077 HD13 HG21 ' A' ' 63' ' ' ILE . 3.1 pt -140.89 139.14 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.755 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -136.45 167.02 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.577 1.173 . . . . 0.0 110.349 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 101' ' ' CYS . 0.5 OUTLIER -62.38 -48.91 77.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.652 ' H ' HD23 ' A' ' 100' ' ' LEU . 6.5 t -63.44 -13.78 43.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 108.309 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.417 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.3 t0 -92.13 166.71 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.987 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -69.52 115.59 8.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.842 ' CD1' HG23 ' A' ' 74' ' ' VAL . 6.6 pt -165.28 129.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.69 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.53 159.19 36.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.05 10.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.696 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 14.1 t90 71.3 -61.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.664 ' O ' HG23 ' A' ' 109' ' ' THR . 57.2 t0 -69.83 52.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 108' ' ' ASP . 2.1 p -158.85 -59.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.904 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.3 mt 14.55 -106.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.05 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.0 -67.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.524 ' N ' HG22 ' A' ' 112' ' ' THR . 21.8 m -47.54 -25.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.904 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -84.43 -34.04 23.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.827 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -71.83 -42.42 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.451 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -62.02 -20.99 64.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.619 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -88.47 -15.25 35.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.931 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.909 HD22 ' CE2' ' A' ' 53' ' ' PHE . 54.3 mt -72.62 -28.34 62.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 0.0 109.338 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -97.89 110.1 54.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.944 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.02 3.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.712 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.8 p -140.11 -131.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.712 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.43 95.0 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.24 15.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.793 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.571 ' OE1' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -124.76 -42.6 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 6.1 mt-30 -55.09 -10.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.818 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.46 -36.89 21.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.902 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -88.74 0.65 56.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 m -109.42 -15.13 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.25 -37.13 10.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.617 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -55.03 174.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -156.37 17.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 88' ' ' GLY . 14.1 p -166.0 78.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.969 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -93.73 118.11 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.632 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -144.73 124.63 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.662 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 10.9 ttp180 -76.71 41.13 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.904 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.1 t -60.81 171.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.528 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.5 ptmt -124.37 118.65 27.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.827 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.82 106.23 18.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.805 ' CG1' HG11 ' A' ' 78' ' ' VAL . 3.2 m -110.39 -37.09 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.507 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -112.48 163.47 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.986 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -148.36 -176.45 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.02 115.18 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 6.9 tt0 -75.09 92.57 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.57 HG13 ' HG2' ' A' ' 27' ' ' LYS . 6.7 m -99.51 93.83 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.492 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.5 m-20 -45.25 143.92 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.378 1.049 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.659 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -130.9 17.46 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.059 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.08 -174.08 30.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.437 1.086 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.7 m120 -84.72 165.89 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.0 t0 -95.5 -161.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -81.17 1.18 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -108.94 -1.56 18.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.6 -8.97 77.72 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.529 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -77.64 153.62 81.08 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.571 0.806 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.5 Cg_endo -74.96 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.659 HG21 ' OG ' ' A' ' 31' ' ' SER . 46.4 mt -71.91 -84.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.564 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.99 124.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.61 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.18 69.74 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.934 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -43.09 145.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.643 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.8 mm-40 -87.21 -179.6 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.978 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.76 68.79 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.047 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.8 tt0 -63.35 68.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.181 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.904 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.5 pt -65.72 -175.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.519 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -123.53 0.16 8.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.519 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.54 128.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.561 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -134.59 -36.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' N ' HG12 ' A' ' 50' ' ' ILE . 3.0 tttt -144.36 167.32 22.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.361 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.555 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.92 65.05 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.823 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 18.9 m-85 -40.13 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -127.18 71.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.02 -158.72 9.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.568 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.01 -173.49 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -88.81 -34.69 16.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.227 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -81.94 -78.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.4 t70 152.39 171.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.591 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.4 mm -97.92 -73.12 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.568 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.86 -8.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.362 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.592 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -146.42 96.89 2.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.062 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.53 169.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.62 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.8 m-85 -122.35 155.48 35.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.929 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.7 t -172.68 -165.51 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.61 155.68 36.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.934 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.04 -165.54 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.52 -172.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.785 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -54.09 -33.84 58.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 149.06 109.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.643 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -115.91 -36.31 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.744 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 8.3 m -128.76 17.66 6.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.619 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -159.83 -153.48 6.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.931 HG23 HD12 ' A' ' 104' ' ' ILE . 64.8 t -117.19 -0.82 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.553 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 33.84 85.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.009 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.153 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -106.41 134.19 49.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.497 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -122.93 1.24 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.087 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.6 t 71.33 -58.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -54.68 -9.79 1.89 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.488 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.95 -20.99 3.95 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.52 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -124.05 -92.47 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 0.723 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.087 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.71 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.332 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.588 ' O ' ' O ' ' A' ' 106' ' ' PRO . 10.9 mp0 -148.21 149.46 31.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.153 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.9 p90 -130.88 153.08 49.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.793 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -83.97 3.53 33.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.137 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.19 104.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.036 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -130.01 110.22 11.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.707 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -147.52 170.2 28.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.684 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.0 tttm -39.6 -35.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 83.46 177.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.602 1.189 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.1 tp10 -134.96 7.31 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.44 -123.68 4.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.35 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 75.64 -0.47 60.95 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.107 . . . . 0.0 111.045 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.18 142.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.289 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.672 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.75 -170.0 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.982 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.69 130.13 48.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.062 HD13 HG21 ' A' ' 63' ' ' ILE . 6.3 pt -141.53 139.18 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.615 ' O ' HD11 ' A' ' 104' ' ' ILE . 2.0 p -138.33 163.82 30.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.439 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.514 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -62.5 -29.16 70.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -29.83 57.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 108.284 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.406 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.6 t0 -81.18 170.24 16.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.036 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.82 117.5 12.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.051 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.931 HD12 HG23 ' A' ' 74' ' ' VAL . 7.3 pt -164.42 132.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.502 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.51 157.36 32.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.588 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.4 Cg_endo -74.99 7.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.419 1.747 . . . . 0.0 111.049 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.793 ' HD1' HD12 ' A' ' 85' ' ' LEU . 2.5 t90 73.99 -57.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.03 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 109' ' ' THR . 65.9 t0 -69.34 50.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.683 ' O ' ' C ' ' A' ' 110' ' ' LEU . 13.3 p -158.67 -55.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.028 HD22 ' HB3' ' A' ' 114' ' ' GLN . 40.7 mt 8.49 -106.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 147.43 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.599 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.74 -63.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.482 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 20.6 m -51.03 -25.81 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.445 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.028 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -84.17 -33.02 24.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.807 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -72.72 -42.45 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.571 ' CE ' ' OE1' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -64.09 -12.51 39.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.601 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.3 -19.81 17.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.823 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -71.05 -26.68 63.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 1.183 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.437 ' ND2' ' HA ' ' A' ' 116' ' ' LYS . 10.1 p30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.491 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 69.3 p -85.62 115.88 63.32 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.95 84.21 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.708 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.6 p -103.97 -132.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.708 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 42.0 93.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.595 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -27.86 9.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.57 ' OE1' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -120.11 -40.57 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 8.8 mt-30 -57.28 -8.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.814 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.75 -39.48 20.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.895 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -85.91 1.53 49.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.3 m -110.2 -15.08 14.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 108.241 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.95 -38.66 10.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.612 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.76 172.24 0.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -148.48 11.27 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.799 HG21 ' SD ' ' A' ' 96' ' ' MET . 4.9 p -166.91 92.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.952 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -100.88 122.86 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.555 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -145.24 126.28 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.697 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.5 mtp180 -77.27 37.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.231 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.95 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.4 t -60.87 163.67 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 14.8 ptmt -119.23 119.92 35.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.862 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.17 101.36 13.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.946 HG12 HG11 ' A' ' 78' ' ' VAL . 2.9 m -103.71 -35.69 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.503 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.7 161.73 18.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.1 -177.4 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.639 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -151.29 112.45 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.475 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 1.2 tt0 -74.55 92.73 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' HG2' ' A' ' 27' ' ' LYS . 11.4 m -99.17 80.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.78 139.4 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.524 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.7 t -125.43 32.6 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.67 -169.57 4.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.532 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.3 m120 -83.66 165.24 19.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.4 t70 -94.86 -162.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.46 0.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -108.49 -1.31 19.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.46 -9.54 75.2 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.106 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.4 p-10 -77.45 153.85 81.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.0 130.04 12.91 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.513 HD12 ' O ' ' A' ' 31' ' ' SER . 41.8 mt -75.22 -94.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 20.1 ttmt 72.13 121.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.652 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.6 ptt85 -126.14 69.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.026 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -39.3 146.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.652 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 10.6 mm-40 -89.68 179.36 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 1.016 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.71 70.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.503 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.6 tt0 -64.66 66.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.59 1.181 . . . . 0.0 110.256 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.95 HD12 ' CG2' ' A' ' 21' ' ' THR . 1.7 pt -65.37 -176.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -119.24 0.9 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.502 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.3 mm100 49.37 107.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.471 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -115.57 -33.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.53 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -144.41 164.54 30.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.406 ' HG2' HG22 ' A' ' 19' ' ' ILE . 2.1 ttp -144.8 70.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.007 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -40.67 -77.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.542 ' O ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.23 165.89 21.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.525 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 128.8 -137.26 9.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.585 ' CD ' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.03 -163.11 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.79 -30.13 4.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.0 -81.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.556 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.6 t70 154.92 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.202 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.683 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.2 mm -102.83 -79.88 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.538 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 76.66 -8.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.589 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -143.45 94.09 2.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.807 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -104.33 171.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.388 1.055 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.611 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.0 m-85 -119.67 163.76 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.886 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.0 t -176.64 -174.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.625 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.04 148.3 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.026 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.99 -161.3 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.407 1.741 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.7 OUTLIER 58.42 -170.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.6 p -70.14 54.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.052 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 56.02 96.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.638 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -103.22 -34.42 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.175 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.67 ' HA ' HD22 ' A' ' 100' ' ' LEU . 19.6 m -131.7 10.98 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.813 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -150.54 -156.01 7.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.99 HG23 HD12 ' A' ' 104' ' ' ILE . 15.0 t -115.15 1.09 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 74' ' ' VAL . 79.2 p 30.03 84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.112 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.87 129.77 49.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.466 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.6 p30 -116.25 -3.46 11.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.982 HG22 ' O ' ' A' ' 82' ' ' LYS . 0.9 OUTLIER 72.04 -52.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.13 -15.33 0.38 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.503 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.6 -32.63 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.538 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -102.86 -95.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.982 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 163.81 -66.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.526 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -161.66 166.61 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.12 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.5 p90 -150.69 153.75 36.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.781 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.34 0.21 46.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.12 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 13.36 100.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.018 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.96 109.77 11.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.94 177.02 21.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.695 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 3.3 tttm -51.03 -28.63 10.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.715 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 83.68 -178.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.547 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.8 tp10 -136.92 -37.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.44 -150.33 11.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.7 130.08 45.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 0.75 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 83.8 -4.37 82.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -166.77 141.65 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.799 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -140.49 -158.6 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.94 130.28 27.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.69 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.807 HD13 HG21 ' A' ' 63' ' ' ILE . 10.2 pt -141.61 142.1 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.217 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.669 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.7 OUTLIER -140.37 159.49 42.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.67 HD22 ' HA ' ' A' ' 72' ' ' CYS . 1.0 OUTLIER -55.19 -46.64 75.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 2.4 t -61.69 -32.29 72.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 108.265 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.493 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 10.2 t0 -74.87 167.73 21.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.018 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -70.82 117.2 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.937 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.99 HD12 HG23 ' A' ' 74' ' ' VAL . 4.2 pt -165.53 132.35 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.634 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -152.0 159.35 33.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.604 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.0 Cg_endo -75.04 10.41 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.697 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 18.0 t90 71.38 -59.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.047 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.667 ' O ' HG23 ' A' ' 109' ' ' THR . 16.1 t70 -69.33 52.49 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.675 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.0 p -159.29 -56.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.947 HD22 ' HB3' ' A' ' 114' ' ' GLN . 52.1 mt 11.25 -108.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.45 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.583 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.93 -65.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.356 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.52 ' N ' HG22 ' A' ' 112' ' ' THR . 25.2 m -49.83 -26.59 4.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.452 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.947 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -83.04 -31.15 27.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.576 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -75.5 -43.44 49.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.57 ' CE ' ' OE1' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -62.59 -13.44 31.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.619 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -96.74 -15.1 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 110.026 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.007 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 76.0 mt -69.63 -31.11 69.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.488 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 43.6 t . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -62.23 109.39 2.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.4 Cg_endo -74.97 76.76 3.29 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.467 1.772 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.757 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.1 p -98.79 -133.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.757 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.7 OUTLIER 43.54 93.96 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.129 . . . . 0.0 109.594 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.46 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.0 -32.97 4.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -114.75 -36.33 4.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.353 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.502 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -58.16 -11.7 2.85 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.877 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.05 -34.94 29.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.895 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -89.44 -3.55 58.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.3 m -104.95 -9.67 17.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.371 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.502 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.4 OUTLIER -103.47 -39.27 6.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.631 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.03 169.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.237 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -148.83 15.31 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.711 HG23 ' HD3' ' A' ' 56' ' ' PRO . 13.2 p -166.57 88.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.018 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -99.58 117.12 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.661 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.0 OUTLIER -142.27 124.74 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.634 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 8.2 mtp180 -78.1 39.67 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.919 HG21 HD12 ' A' ' 47' ' ' ILE . 2.2 t -60.09 179.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.73 ' HG2' HG22 ' A' ' 50' ' ' ILE . 13.7 ptmt -133.04 118.63 19.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.842 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.59 104.21 16.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.72 ' CG1' HG11 ' A' ' 78' ' ' VAL . 3.5 m -107.92 -35.85 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.37 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -113.71 161.64 17.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 110.06 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.5 mp0 -147.44 -177.23 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.64 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.3 ttpt -149.85 114.68 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 7.5 tt0 -75.3 92.27 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.537 HG13 ' HG2' ' A' ' 27' ' ' LYS . 22.3 m -103.99 119.64 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.437 ' CG ' ' HZ3' ' A' ' 41' ' ' LYS . 1.3 m-20 -61.7 159.12 14.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.663 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -146.69 18.2 1.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.162 . . . . 0.0 109.952 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.404 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 74.26 179.79 41.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.0 m-20 -84.14 164.41 19.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -96.16 -161.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.774 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.88 1.84 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -110.07 -0.34 18.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.582 1.176 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.31 -9.83 71.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.147 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.518 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.5 p-10 -77.72 154.6 81.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.08 129.76 12.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.663 HG21 ' OG ' ' A' ' 31' ' ' SER . 55.0 mt -65.2 -79.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.659 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.1 tppt? 69.56 125.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.638 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -130.63 68.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.319 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.952 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -40.07 146.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.64 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.0 mm-40 -88.08 179.79 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.953 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.84 67.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.512 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.6 tt0 -63.35 70.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.919 HD12 HG21 ' A' ' 21' ' ' THR . 3.3 pt -66.34 -173.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.557 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -127.17 2.54 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 54.49 125.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.739 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -132.72 -30.23 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -155.03 167.25 30.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.48 ' HA ' HG22 ' A' ' 19' ' ' ILE . 3.2 ptp -144.83 69.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.105 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -38.28 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.616 ' HB3' HG23 ' A' ' 18' ' ' VAL . 13.7 tptp -133.24 72.26 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.1 -152.44 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.711 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.6 Cg_endo -74.96 -168.46 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.077 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -97.36 -33.81 11.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.24 -79.77 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.511 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.2 t70 155.65 170.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.572 HG21 HD13 ' A' ' 63' ' ' ILE . 1.8 mm -100.13 -74.23 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 72.81 -8.15 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.58 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -145.98 95.6 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -107.09 167.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.381 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.604 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.3 m-85 -121.33 152.26 39.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.924 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.5 t -167.38 -165.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.473 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.767 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.34 154.52 37.37 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.952 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.95 -161.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.88 -168.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.775 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 3.6 p -54.09 -40.18 67.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 152.29 102.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.717 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.9 OUTLIER -106.5 -44.49 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.167 . . . . 0.0 109.326 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.847 ' O ' HG22 ' A' ' 99' ' ' THR . 20.5 m -121.58 27.01 8.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 108.254 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.59 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -168.03 -153.62 8.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.886 HG23 HD12 ' A' ' 104' ' ' ILE . 96.1 t -121.08 -1.3 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.575 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.1 OUTLIER 34.68 82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.946 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.145 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.12 132.39 50.42 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.507 ' C ' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -118.22 1.27 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.72 HG11 ' CG1' ' A' ' 24' ' ' VAL . 3.4 t 68.88 -57.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -51.23 -13.56 1.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -116.13 -25.36 3.57 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -112.63 -90.04 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.5 -63.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -169.62 165.98 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.355 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.147 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.1 p90 -149.7 152.99 36.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.995 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.762 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.78 4.16 30.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.147 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 9.92 101.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.047 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.96 109.47 11.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.546 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.0 171.16 26.25 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.673 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -39.75 -36.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 83.78 175.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.517 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.2 tp10 -134.83 6.98 3.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.87 -122.85 4.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.04 142.56 50.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.24 -2.28 71.67 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.69 142.8 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 0.721 . . . . 0.0 109.345 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.661 ' HE3' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.54 -168.79 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.08 129.29 46.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.612 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.014 HD12 HG13 ' A' ' 86' ' ' ILE . 2.7 pt -141.52 141.67 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.847 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -142.1 164.7 29.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.717 HD22 ' O ' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -58.49 -44.57 89.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.374 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 2.6 t -63.52 -32.35 73.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.429 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.3 t0 -75.83 168.27 20.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.047 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.9 115.52 11.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.886 HD12 HG23 ' A' ' 74' ' ' VAL . 7.9 pt -162.86 132.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.678 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -151.67 158.48 34.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.615 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 11.98 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.631 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.2 t90 71.13 -62.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 108.019 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.665 ' O ' HG23 ' A' ' 109' ' ' THR . 16.9 t70 -69.47 53.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.668 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.3 p -158.82 -56.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.383 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.016 HD22 ' HB3' ' A' ' 114' ' ' GLN . 61.9 mt 11.68 -107.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 147.47 -41.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.83 -62.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.553 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 21.3 m -51.63 -22.62 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.016 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -87.22 -37.45 17.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.608 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.1 mtmt -67.5 -38.19 83.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.553 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 2.7 pttt -64.32 -16.84 62.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.678 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -97.42 -9.7 26.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 0.0 109.96 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.105 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 28.4 mt -72.63 -30.05 63.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.3 p30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.564 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -141.34 124.24 9.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.98 134.77 18.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.436 1.756 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.759 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -154.84 -134.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.759 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 32.94 90.49 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 4.38 4.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.507 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.6 OUTLIER -140.46 -44.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.613 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -64.0 -7.21 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.203 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.779 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.57 -33.59 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.862 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.2 m-85 -89.89 -3.08 58.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -104.91 -13.79 15.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.613 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.4 OUTLIER -99.23 -39.95 8.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.581 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.55 172.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.36 13.6 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.764 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 5.0 p -167.55 90.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.033 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.3 t -99.82 116.33 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.598 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -141.85 123.59 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.651 ' CZ ' ' CZ3' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -76.79 40.96 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.322 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.969 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.3 t -63.32 174.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.374 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.541 ' HG2' HG22 ' A' ' 50' ' ' ILE . 12.8 ptmt -128.51 120.22 26.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.856 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.05 109.45 20.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.816 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.5 m -112.15 -35.62 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.493 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -116.11 169.38 9.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -151.9 179.28 8.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.1 ttpt -144.44 111.84 6.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.588 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 4.9 tt0 -74.33 91.68 2.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.357 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.498 HG13 ' HG2' ' A' ' 27' ' ' LYS . 33.1 m -107.31 116.56 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.5 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -57.54 162.25 3.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.556 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.1 t -147.4 18.57 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.66 177.5 46.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.2 m-80 -85.27 162.33 19.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 0.773 . . . . 0.0 109.291 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.8 t0 -93.74 -162.6 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.754 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -80.19 1.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.21 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -109.52 -0.79 18.64 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.5 -8.88 75.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.527 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.1 p-10 -78.31 153.36 79.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.09 130.14 12.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 31' ' ' SER . 64.6 mt -64.97 -79.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.588 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.2 tppt? 70.03 125.25 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.683 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.2 68.97 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.977 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.47 139.34 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.683 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 6.1 mm-40 -81.72 -177.86 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.955 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.84 69.3 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.9 tt0 -63.17 68.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.969 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.6 pt -66.66 -175.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.464 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -120.52 -3.86 9.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.53 ' CD ' ' OD1' ' A' ' 59' ' ' ASP . 19.2 mm100 59.85 125.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.601 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -134.16 -38.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -144.51 151.16 38.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.379 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.423 ' HA ' HG22 ' A' ' 19' ' ' ILE . 4.3 ptt? -135.45 67.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.99 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.561 ' CG ' HD23 ' A' ' 118' ' ' LEU . 46.7 m-85 -44.55 -73.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.734 ' HB3' HG23 ' A' ' 18' ' ' VAL . 13.3 tptt -125.88 159.56 32.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.45 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 134.25 -143.96 15.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -163.04 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -116.67 -30.99 5.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.36 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -71.14 -76.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.677 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 2.7 t0 149.89 163.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.683 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.3 mm -104.57 -76.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.68 -9.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.286 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.596 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -142.4 93.7 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.95 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.014 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -97.96 171.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.758 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -124.96 146.8 49.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.775 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.8 t -161.21 -161.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.596 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -106.58 153.75 40.41 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.384 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.977 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.07 -160.13 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.32 -170.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.994 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.7 p -73.42 53.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 63.4 102.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.669 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -112.14 -30.57 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.678 ' HA ' HD22 ' A' ' 100' ' ' LEU . 12.1 m -132.04 12.2 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 108.256 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.604 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.81 -151.58 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.919 HG23 HD12 ' A' ' 104' ' ' ILE . 99.2 t -115.69 4.71 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.539 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 19.1 p 27.81 86.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.09 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.155 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.29 136.89 43.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.514 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -126.08 -0.31 7.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.068 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.4 t 72.34 -54.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.66 -11.18 1.81 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -118.99 -30.63 1.57 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.537 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -112.27 -95.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 0.794 . . . . 0.0 109.294 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.068 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.53 -84.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 106' ' ' PRO . 5.1 mp0 -145.52 159.28 43.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.155 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.3 p90 -145.4 152.61 40.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.764 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.27 5.01 24.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.144 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 9.31 101.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.033 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -127.48 106.63 9.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.63 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -159.67 156.31 27.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -36.22 94.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 109.359 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.764 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -55.57 175.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.516 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 21.0 tp10 -120.94 5.85 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.181 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.4 -108.47 0.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.114 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.04 135.98 23.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 84.83 -2.22 88.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.683 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.23 142.73 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.774 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.94 -168.6 3.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.758 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -127.47 130.61 49.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.606 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.014 HD13 HG21 ' A' ' 63' ' ' ILE . 4.8 pt -141.78 142.57 28.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.577 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.7 OUTLIER -140.02 163.82 31.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.413 1.071 . . . . 0.0 110.421 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -58.92 -46.57 87.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.441 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -62.44 -29.59 70.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 108.37 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.488 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 6.4 t0 -75.59 167.5 21.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.027 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -71.16 117.95 13.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.919 HD12 HG23 ' A' ' 74' ' ' VAL . 5.4 pt -164.84 135.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.613 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.83 157.61 30.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.561 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.0 Cg_endo -75.02 4.62 4.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.726 ' HD1' HD12 ' A' ' 85' ' ' LEU . 1.8 t90 77.92 -56.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.003 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.555 ' O ' HG23 ' A' ' 109' ' ' THR . 38.8 t70 -69.24 50.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.245 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.715 ' O ' ' C ' ' A' ' 110' ' ' LEU . 20.9 p -158.32 -51.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.026 HD22 ' HB3' ' A' ' 114' ' ' GLN . 42.7 mt 4.45 -105.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.653 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 144.92 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.36 -64.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.468 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.507 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 19.9 m -50.15 -25.29 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.026 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -83.8 -35.19 24.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.619 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -70.4 -42.57 71.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.426 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.95 -19.43 64.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.648 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -96.62 -6.96 35.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.942 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.561 HD23 ' CG ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -81.7 -23.81 36.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.8 p30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.565 ' O ' HD11 ' A' ' 100' ' ' LEU . 4.7 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.9 p -67.38 111.41 7.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.465 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.6 Cg_endo -74.95 70.1 5.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.401 1.738 . . . . 0.0 111.055 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.75 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.0 p -93.66 -134.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.75 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 40.62 93.81 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.6 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.439 1.758 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.452 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -121.19 -38.48 2.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 12.0 mt-30 -58.25 -9.27 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.835 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.37 -38.29 24.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.878 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -87.42 1.47 53.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -109.56 -16.77 13.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 108.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -94.9 -38.66 10.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.59 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.06 173.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.399 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -155.66 18.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.895 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 7.3 p -167.45 80.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.949 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.93 117.45 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.647 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -143.09 125.03 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.696 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 6.1 mtp180 -75.77 38.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.854 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.3 t -59.89 169.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.615 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 14.7 ptmt -124.55 119.31 28.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.788 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.72 94.7 8.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.687 ' CG1' HG11 ' A' ' 78' ' ' VAL . 11.3 m -98.28 -35.71 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.517 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -113.43 162.06 16.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.73 -177.16 5.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.645 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -152.32 111.72 3.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.499 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -74.41 92.1 2.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.234 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' HG2' ' A' ' 27' ' ' LYS . 12.5 m -98.51 80.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -45.36 140.06 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.525 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.5 t -125.53 29.87 5.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.406 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 59.94 -169.91 7.04 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.7 m-20 -83.83 164.68 19.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 0.726 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.5 t0 -95.23 -162.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.14 1.26 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -108.35 -1.33 20.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.96 -9.07 75.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -78.08 153.21 79.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.791 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.12 129.13 11.95 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 31' ' ' SER . 33.3 mt -73.63 -96.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 22.9 ttmt 73.42 122.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.639 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -127.14 68.39 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.994 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -37.74 146.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.645 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mm-40 -89.57 179.21 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.974 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.24 68.33 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.517 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.5 tt0 -63.24 70.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.854 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -65.32 -167.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.652 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.9 ttpt -133.52 12.34 4.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.652 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 41.9 110.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.546 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -118.48 -28.87 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.534 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -152.63 167.8 27.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.51 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.19 69.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.792 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -40.98 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -132.22 71.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.02 -157.83 9.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.641 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.98 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.43 1.753 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -87.89 -33.61 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.547 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.03 -81.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 0.0 109.252 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 5.0 t70 152.45 170.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.064 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.623 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -102.48 -72.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 73.64 -9.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -145.72 98.49 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.957 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -105.8 168.51 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.582 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.6 m-85 -121.6 151.77 40.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.864 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 3.9 t -166.99 -169.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.348 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.672 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -103.3 149.62 37.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.994 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.02 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 65.89 -157.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.941 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.716 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 5.7 p -80.77 25.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.72 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 86.19 99.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.654 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -106.25 -41.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.219 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.672 ' H ' ' HB3' ' A' ' 66' ' ' ALA . 13.1 m -121.97 12.81 10.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.72 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -151.37 -161.82 10.33 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.922 HG23 HD12 ' A' ' 104' ' ' ILE . 43.8 t -109.5 -0.57 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.76 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 74' ' ' VAL . 25.8 p 31.04 79.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 110.044 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.001 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.03 129.52 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.24 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.539 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -107.48 -8.34 16.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.959 HG22 ' O ' ' A' ' 82' ' ' LYS . 2.5 t 70.51 -52.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.89 -15.48 0.17 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -117.59 -30.73 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.539 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -103.0 -93.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.959 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.36 -84.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 7.6 mp0 -151.15 149.68 29.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.152 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -126.37 154.5 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.702 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.55 4.4 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.152 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.13 105.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.011 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -130.81 109.91 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.576 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.77 -177.7 19.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.616 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.4 -32.21 25.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.895 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 78.45 175.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.534 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.7 tp10 -133.15 4.58 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.14 -124.83 4.47 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.04 141.9 51.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 0.726 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 79.4 -3.91 65.62 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.623 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -173.89 139.66 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.715 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.77 -173.29 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.998 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.46 130.68 53.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.957 HD13 HG21 ' A' ' 63' ' ' ILE . 14.7 pt -142.11 133.35 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.639 ' O ' HD11 ' A' ' 104' ' ' ILE . 63.0 p -133.39 159.9 38.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.654 HD22 ' O ' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -54.2 -16.88 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 99' ' ' THR . 0.4 OUTLIER -96.26 -26.71 15.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 108.273 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.638 ' O ' ' C ' ' A' ' 103' ' ' PHE . 8.6 t0 -83.44 104.49 13.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.011 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -11.68 120.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.922 HD12 HG23 ' A' ' 74' ' ' VAL . 3.9 pt -166.97 135.45 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.685 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.77 157.96 31.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.646 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.09 12.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.696 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.2 t90 70.92 -61.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.674 ' O ' HG23 ' A' ' 109' ' ' THR . 43.7 t0 -69.36 52.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 108' ' ' ASP . 1.9 p -159.13 -55.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.995 HD22 ' HB3' ' A' ' 114' ' ' GLN . 62.9 mt 10.9 -106.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 148.52 -43.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.558 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.8 -65.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.397 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.538 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 22.4 m -50.37 -21.23 1.34 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.995 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -87.38 -37.93 16.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.647 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.5 mtmt -67.42 -39.06 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.538 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 1.9 pttt -64.14 -14.57 55.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.622 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -97.68 -15.5 20.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.792 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 83.0 mt -71.86 -29.33 64.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.417 ' ND2' ' C ' ' A' ' 119' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 p -141.35 113.83 6.77 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.484 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 71.45 4.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.787 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.742 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -82.78 -133.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.742 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 32.62 91.24 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.616 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.765 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.96 3.82 5.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.414 1.744 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.492 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 6.7 tp-100 -140.52 -41.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 1.1 mt-30 -67.3 -6.32 18.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.771 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.33 -36.8 22.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.876 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -87.25 -4.88 59.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 m -102.8 -16.65 15.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 108.277 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -94.2 -40.4 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.62 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.6 173.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.49 17.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.827 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 6.9 p -166.94 81.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.938 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.96 119.39 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.565 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -145.45 126.72 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.686 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.4 ttp180 -77.85 42.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.969 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.9 t -64.41 165.53 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 13.4 ptmt -119.43 122.23 41.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.836 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -95.93 103.28 15.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.599 1.187 . . . . 0.0 109.322 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.951 HG12 HG11 ' A' ' 78' ' ' VAL . 4.6 m -107.58 -38.01 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.49 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.3 t -113.16 159.01 19.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HB3' HG23 ' A' ' 43' ' ' ILE . 1.1 mp0 -144.79 -175.64 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.36 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.641 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.6 ttpt -151.93 114.76 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.617 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 0.7 OUTLIER -74.97 95.79 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.563 HG13 ' HG2' ' A' ' 27' ' ' LYS . 6.2 m -102.55 78.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.45 140.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.4 t -126.9 31.42 5.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.972 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.17 -170.33 7.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.429 1.08 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.1 m-20 -84.41 165.87 17.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -96.09 -161.9 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.67 0.16 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.217 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -107.89 -0.74 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.66 -8.98 75.66 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -77.51 152.55 81.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.383 0.696 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.11 129.34 12.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.478 HD12 ' O ' ' A' ' 31' ' ' SER . 25.3 mt -73.12 -95.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' HD3' ' CD1' ' A' ' 43' ' ' ILE . 17.3 ttmt 73.14 118.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.626 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.1 ptt180 -122.56 67.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.617 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 1.2 mp -38.1 146.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.641 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.3 mm-40 -88.7 -179.51 6.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.996 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.33 68.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 14.4 tt0 -62.34 68.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.969 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.5 pt -65.97 -176.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.7 OUTLIER -118.39 -4.81 10.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.511 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 14.2 mm100 54.31 111.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.464 HD11 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -118.76 -35.25 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.444 ' N ' HG12 ' A' ' 50' ' ' ILE . 1.5 tttt -144.7 163.66 33.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.527 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -143.27 68.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 111.032 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.116 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.3 m-85 -37.84 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.89 73.55 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 17' ' ' VAL . . . -121.72 -162.52 11.65 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.66 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.06 -172.81 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.434 1.755 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -93.03 -33.75 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.627 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -74.31 -81.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.627 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 153.7 165.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.596 1.185 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.584 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -105.63 -79.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.533 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.09 -8.7 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.579 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.0 m-85 -142.81 94.24 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.991 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -100.99 171.26 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.624 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 7.3 m-85 -122.39 154.9 37.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.895 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.9 t -171.91 -170.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.546 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -105.57 146.39 32.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.443 ' O ' HG13 ' A' ' 71' ' ' VAL . 18.2 Cg_endo -75.0 -161.26 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER 58.73 -168.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.06 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 70' ' ' ALA . 15.4 p -68.77 55.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.021 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.81 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 51.96 101.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.488 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -102.59 -37.91 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.666 ' HA ' HD22 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -133.83 20.11 3.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 108.256 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.81 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -154.04 -163.11 11.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.422 1.076 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.939 HG23 HD12 ' A' ' 104' ' ' ILE . 62.7 t -110.23 5.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 74' ' ' VAL . 90.0 p 26.7 85.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.121 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.31 133.08 48.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.333 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.521 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.1 p30 -120.17 -4.63 10.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.067 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.4 t 72.96 -49.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -54.67 -11.83 3.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.54 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -120.57 -36.69 0.77 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.54 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -101.26 -96.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 0.725 . . . . 0.0 109.328 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.067 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.25 -82.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.555 ' O ' ' O ' ' A' ' 106' ' ' PRO . 1.3 mp0 -148.21 158.24 43.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.142 ' CG ' HD13 ' A' ' 86' ' ' ILE . 3.0 p90 -142.35 152.37 42.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.722 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.23 4.49 26.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.142 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.04 105.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.031 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -130.96 111.02 11.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.612 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.31 177.98 22.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.599 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.2 tttm -49.79 -26.66 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.238 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.827 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 76.83 175.43 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.7 tp10 -132.98 5.24 3.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.1 -121.36 3.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.78 142.81 50.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 79.93 -5.71 61.38 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.584 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -172.73 147.22 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.789 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.715 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.16 -169.53 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.55 132.28 52.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.0 109.65 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.991 HD13 HG21 ' A' ' 63' ' ' ILE . 10.6 pt -145.02 135.74 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.654 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.4 p -137.98 162.88 32.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.666 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -60.89 -27.6 68.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -31.04 55.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 108.3 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.414 ' O ' HG12 ' A' ' 104' ' ' ILE . 3.2 t0 -80.9 170.09 16.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.223 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.031 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.27 118.87 13.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 111.058 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.939 HD12 HG23 ' A' ' 74' ' ' VAL . 6.1 pt -165.26 135.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.548 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.73 158.26 31.71 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.572 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.98 7.4 2.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.686 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 9.2 t90 74.57 -58.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 107.998 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 109' ' ' THR . 53.7 t0 -69.45 51.22 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 8.5 p -158.32 -51.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.007 HD22 ' HB3' ' A' ' 114' ' ' GLN . 53.6 mt 5.52 -107.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.387 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 145.51 -39.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.615 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.66 -64.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 110.451 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 8' ' ' PRO . 2.9 m -48.54 -26.85 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.007 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -83.75 -35.43 24.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.389 1.055 . . . . 0.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.468 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -68.91 -41.55 78.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.55 -15.13 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.637 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -97.83 -8.71 27.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.037 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.116 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 49.5 mt -77.29 -29.85 53.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.73 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.1 t . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 37.2 p -97.27 127.52 38.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.94 101.39 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.713 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.6 p -121.52 -132.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.713 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.39 90.47 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.394 0 O-C-N 124.458 1.099 . . . . 0.0 109.605 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.452 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.06 -28.8 8.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.441 1.759 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 6.0 tp-100 -115.53 -31.62 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.546 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -70.42 -6.92 39.19 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.722 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.7 -36.72 21.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.408 1.067 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.911 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.1 m-85 -90.19 7.25 39.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.4 m -116.4 -8.72 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 108.34 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.546 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -105.36 -38.91 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.646 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.76 172.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.78 14.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.654 HG23 ' HD3' ' A' ' 56' ' ' PRO . 13.6 p -165.68 87.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.944 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -98.78 120.06 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.611 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -145.7 125.98 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.68 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.1 mtp180 -76.96 39.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.571 1.169 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.006 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.9 t -63.75 163.27 11.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 14.6 ptmt -118.62 122.3 42.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.834 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.49 101.04 12.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.936 HG12 HG11 ' A' ' 78' ' ' VAL . 5.3 m -104.28 -34.87 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.515 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.0 t -116.88 161.7 18.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.051 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.2 mp0 -144.36 -176.38 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.0 ttpt -152.1 113.09 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.3 tt0 -75.0 92.05 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.585 HG13 ' HG2' ' A' ' 27' ' ' LYS . 11.5 m -99.28 95.48 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.504 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.7 m-20 -44.9 146.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.679 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -133.08 18.71 4.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.86 -175.24 23.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.525 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.2 m120 -84.66 164.87 18.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 0.754 . . . . 0.0 109.238 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.4 t0 -94.52 -162.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.785 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.08 0.84 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -107.93 -0.71 21.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 -8.66 76.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.525 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -78.87 154.09 77.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 131.54 14.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.679 HG21 ' OG ' ' A' ' 31' ' ' SER . 47.1 mt -73.31 -83.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.548 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.33 123.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.639 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 2.3 ptt180 -128.82 67.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.907 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.54 143.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.5 mm-40 -86.52 -177.78 6.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.977 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.59 68.76 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.8 tt0 -62.03 71.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 1.006 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.9 pt -70.64 -176.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -119.99 10.11 11.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.568 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.0 mm100 36.8 100.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.5 ' CD1' ' OE2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -108.64 -33.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.536 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -143.93 162.83 35.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.3 OUTLIER -144.46 70.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 111.044 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.022 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.3 m-85 -36.46 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -132.02 80.94 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.179 . . . . 0.0 109.341 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.95 -160.86 10.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.573 1.17 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.654 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.02 -171.44 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -94.68 -33.6 12.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.606 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -72.84 -79.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.606 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.3 t70 148.2 165.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.393 1.058 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.768 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.7 OUTLIER -106.88 -78.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 74.23 -9.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -142.36 96.35 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.062 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -99.65 169.35 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.632 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -123.24 150.0 44.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.812 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.8 t -165.92 -163.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -107.66 153.51 41.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.907 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.01 -159.23 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.529 1.805 . . . . 0.0 111.005 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.411 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.4 OUTLIER 58.76 -168.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.975 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 0.4 OUTLIER -75.86 48.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.03 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.589 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 67.53 100.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.631 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -109.29 -34.61 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.7 ' HA ' HD22 ' A' ' 100' ' ' LEU . 12.1 m -127.22 8.58 6.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.289 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.607 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.8 -149.94 5.13 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.904 HG23 HD12 ' A' ' 104' ' ' ILE . 87.2 t -117.67 3.83 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.561 ' OG ' ' HB2' ' A' ' 70' ' ' ALA . 90.1 p 28.34 83.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.096 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.44 129.65 50.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.587 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -117.0 -8.38 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.936 HG11 HG12 ' A' ' 24' ' ' VAL . 1.4 t 75.49 -28.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.569 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.59 -11.19 34.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.501 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -128.57 -34.21 0.54 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -95.78 -101.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.895 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.74 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.515 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -161.7 166.19 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 110.309 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.146 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.4 p90 -149.75 152.36 35.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.699 HD11 HG23 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -83.33 4.88 25.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.146 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.08 104.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.023 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.82 109.51 10.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.504 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.88 178.17 22.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.697 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -47.03 -38.69 11.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.43 176.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.536 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.6 tp10 -134.55 5.97 3.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.595 1.184 . . . . 0.0 110.345 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.02 -121.73 3.84 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.496 1.123 . . . . 0.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -130.13 144.44 51.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.484 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.52 -4.48 59.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.586 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.26 144.0 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 109.258 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.768 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -145.77 -168.35 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.632 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -130.2 128.46 41.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.588 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.062 HD13 HG21 ' A' ' 63' ' ' ILE . 4.0 pt -140.13 141.43 33.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.585 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -138.03 164.51 28.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.402 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.73 HD11 ' O ' ' A' ' 3' ' ' CYS . 1.4 pt? -58.86 -48.07 82.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.453 ' H ' HD23 ' A' ' 100' ' ' LEU . 2.6 t -61.32 -27.63 68.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 108.385 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.487 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.3 t0 -77.87 165.75 23.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.023 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.23 117.63 12.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.904 HD12 HG23 ' A' ' 74' ' ' VAL . 6.4 pt -164.99 135.08 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.699 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.57 158.6 32.65 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.615 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.98 11.19 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.68 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 19.4 t90 71.57 -61.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.94 -1.134 . . . . 0.0 107.94 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 109' ' ' THR . 32.3 t70 -69.6 53.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.684 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.4 p -158.87 -53.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.016 HD22 ' HB3' ' A' ' 114' ' ' GLN . 72.5 mt 9.48 -107.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 145.85 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.059 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.591 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.2 -64.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.393 1.058 . . . . 0.0 110.413 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 15.2 m -49.55 -26.03 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.176 . . . . 0.0 110.401 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.016 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -84.01 -36.28 23.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.584 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -69.23 -42.29 75.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.466 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.07 -15.06 42.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.61 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.95 -21.6 18.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.024 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.022 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 75.2 mt -63.88 -29.24 70.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.582 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.3 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.2 p -143.18 117.92 6.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.05 73.86 4.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.75 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -83.98 -132.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.75 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 31.42 90.86 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 0.0 109.506 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.743 ' O ' HG22 ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.01 5.06 4.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.457 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 9.1 tp-100 -142.08 -40.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.3 mt-30 -70.16 -0.94 8.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.787 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -89.2 -34.02 16.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.865 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.3 m-85 -88.98 -20.46 24.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.7 m -86.81 -13.45 45.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 108.36 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.91 -43.06 7.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.65 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -51.88 169.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -149.6 16.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 17' ' ' VAL . 6.2 p -164.57 82.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.914 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -97.47 120.63 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.712 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.94 125.54 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.646 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 17.4 mtp180 -77.35 41.13 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.917 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.4 t -62.65 173.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 110.339 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.619 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.5 ptmt -127.34 119.55 26.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.835 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.89 103.14 15.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.871 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.8 m -106.18 -37.04 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.516 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -110.47 167.55 10.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -152.72 -175.69 5.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.246 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -152.02 115.2 4.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 1.2 tt0 -76.48 93.97 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.432 HG13 ' HG2' ' A' ' 27' ' ' LYS . 30.8 m -109.95 119.18 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.409 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 1.8 m-20 -68.13 155.33 39.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB3' HG22 ' A' ' 40' ' ' ILE . 4.4 t -137.27 20.65 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 77.75 179.31 49.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.512 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -83.3 162.94 20.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.6 t70 -94.97 -160.62 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.78 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.67 -0.15 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -108.24 -0.81 20.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.06 -9.47 74.59 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.512 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -77.21 152.89 82.07 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.04 128.91 11.83 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.554 1.818 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.474 HG22 ' HB3' ' A' ' 31' ' ' SER . 55.9 mt -65.43 -86.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 19.7 ttmm 74.97 127.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.636 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -131.83 69.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.96 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -37.98 148.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.666 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.6 mm-40 -89.81 177.31 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 1.017 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.68 67.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.516 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 11.2 tt0 -62.48 70.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.917 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.4 pt -65.7 -174.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -124.64 0.57 8.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 55.16 124.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.638 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -131.5 -33.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.472 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -151.12 165.04 35.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.537 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.3 OUTLIER -144.2 71.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.95 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.656 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -42.21 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -129.07 62.69 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.31 -159.41 12.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.498 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.08 -167.43 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -94.38 -36.22 12.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.523 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -80.21 -80.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.523 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t0 155.58 170.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.644 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.4 mm -100.14 -71.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.13 -9.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.607 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -146.64 99.25 3.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.004 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -104.52 171.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.654 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 11.1 m-85 -124.04 145.53 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.064 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.739 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.2 t -162.42 -166.54 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -103.04 149.91 37.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.96 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.05 -160.46 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.46 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.41 -160.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.74 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 47.9 t -80.21 25.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.991 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 89.89 99.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.568 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -105.92 -40.41 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.658 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 21.0 m -126.24 20.13 7.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 108.341 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.538 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -155.65 -158.49 8.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.985 HG23 HD12 ' A' ' 104' ' ' ILE . 26.0 t -113.85 -0.14 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.704 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER 32.12 88.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.05 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.073 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -103.39 133.96 47.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.54 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -116.91 -7.01 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.072 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 72.0 -53.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.468 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -49.43 -14.52 0.6 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.575 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -116.49 -35.98 1.13 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.575 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -101.26 -99.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.221 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.072 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 169.51 -83.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.558 ' O ' ' O ' ' A' ' 106' ' ' PRO . 5.7 mp0 -148.2 148.77 30.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.135 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.4 p90 -129.33 153.94 47.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.61 1.194 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.697 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.11 2.79 37.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.135 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.12 103.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.047 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.99 109.25 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.579 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -146.15 167.74 27.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.161 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.646 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.6 tttm -36.88 -34.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.65 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 81.31 176.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.53 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.4 tp10 -134.25 7.73 3.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.05 -121.92 4.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.54 145.34 51.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.589 0.817 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 76.91 -2.92 58.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.644 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.66 147.36 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 0.731 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.725 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -150.05 -168.96 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.28 132.26 50.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.567 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.004 HD13 HG21 ' A' ' 63' ' ' ILE . 10.1 pt -145.46 135.29 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.664 ' O ' HD11 ' A' ' 104' ' ' ILE . 5.9 p -135.74 163.27 30.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.582 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -62.35 -28.55 69.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -26.92 51.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 108.292 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.414 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.7 t70 -83.83 172.48 12.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.047 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -72.64 119.2 16.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.985 HD12 HG23 ' A' ' 74' ' ' VAL . 5.2 pt -165.57 134.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.618 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.69 157.64 31.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.581 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 10.62 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.463 1.77 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.519 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 15.8 t90 71.89 -59.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.646 ' O ' HG23 ' A' ' 109' ' ' THR . 25.6 t70 -68.74 51.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.7 p -158.66 -54.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.965 HD22 ' HB3' ' A' ' 114' ' ' GLN . 48.2 mt 7.43 -108.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 147.74 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.615 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.63 -65.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.435 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.743 HG22 ' O ' ' A' ' 8' ' ' PRO . 2.4 m -48.23 -24.0 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.965 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -86.88 -39.58 15.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.518 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -65.19 -38.99 92.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.521 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.5 -18.46 59.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.613 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -92.81 -11.46 33.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.945 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.656 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 63.3 mt -85.02 -21.84 29.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.468 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.9 m . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.9 p -108.66 108.5 60.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.421 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -75.04 127.3 10.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.772 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -153.73 -134.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.772 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 37.42 89.93 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.542 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.94 0.94 8.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.524 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.8 OUTLIER -136.45 -42.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.534 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -62.44 -7.96 5.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.772 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.8 -34.7 30.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.864 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.3 m-85 -90.3 2.57 55.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -110.03 -13.32 14.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 108.276 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.515 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -100.08 -41.45 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.614 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.03 170.94 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.87 12.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.798 HG21 ' SD ' ' A' ' 96' ' ' MET . 4.6 p -166.68 93.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.027 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -101.03 122.12 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.553 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.88 124.72 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.674 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 5.3 mtm180 -77.84 38.66 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.082 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.96 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.3 t -61.47 170.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.48 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 15.4 ptmt -124.49 120.49 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.884 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.68 105.0 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.74 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.3 m -106.88 -37.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.53 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -113.05 167.14 10.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -150.04 -173.41 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.677 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.0 ttpt -154.12 113.44 3.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.474 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -76.51 91.53 3.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 29' ' ' VAL . 32.0 m -106.15 108.31 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.543 ' CG ' ' HZ1' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -64.27 148.95 49.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.459 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.1 t -130.24 26.27 5.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.932 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.39 -177.35 33.17 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.565 1.165 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -84.23 163.69 19.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.5 t0 -95.39 -161.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.788 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.5 mp -80.71 0.7 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.18 -1.06 20.59 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.52 -8.64 76.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.416 1.072 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.76 152.16 77.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.9 129.23 12.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.411 1.742 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 31' ' ' SER . 54.4 mt -68.08 -89.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.543 ' HZ1' ' CG ' ' A' ' 30' ' ' ASP . 20.3 ttmm 74.04 126.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.665 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -132.14 69.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.943 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -37.94 150.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.677 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 10.9 mm-40 -92.57 178.92 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.908 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -135.7 69.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.53 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.2 tt0 -63.78 66.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.569 1.168 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.96 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.0 pt -65.8 -178.29 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.48 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 9.5 ttpt -115.55 -7.53 12.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.175 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.529 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.6 mm100 56.9 112.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.439 HG12 ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -120.57 -34.35 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.504 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -144.27 163.62 33.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.343 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.473 ' O ' ' CG ' ' A' ' 52' ' ' MET . 3.5 ptp -145.37 72.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.855 ' CE2' HD22 ' A' ' 118' ' ' LEU . 1.7 m-85 -42.81 -74.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.87 ' HB3' HG23 ' A' ' 18' ' ' VAL . 10.5 tptp -128.63 164.44 22.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.571 ' HA3' HG23 ' A' ' 17' ' ' VAL . . . 128.57 -140.82 12.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.563 1.164 . . . . 0.0 111.085 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.428 ' CD ' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.0 -165.9 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.34 -29.5 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -68.73 -80.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.555 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.2 t70 154.62 159.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.709 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.4 mm -99.87 -79.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HG3' ' CG ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER 75.06 -9.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -144.55 97.95 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 111.021 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.949 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.72 168.72 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.646 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.7 m-85 -120.9 154.16 36.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.805 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.5 t -167.49 -165.34 0.66 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.73 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -103.51 149.13 36.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.943 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.02 -157.95 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.82 -170.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 t -69.78 53.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.622 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 56.89 103.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.534 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -111.75 -38.97 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.73 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 24.7 m -123.0 15.0 9.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.58 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.15 -157.11 7.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.127 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.92 HG23 HD12 ' A' ' 104' ' ' ILE . 81.1 t -110.44 -0.82 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 0.802 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.622 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 15.0 p 32.51 84.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.063 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.145 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.48 140.59 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.47 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -126.93 2.02 6.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.245 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.74 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.5 t 68.95 -56.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -57.3 -9.28 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.413 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.42 -17.69 4.74 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.34 -90.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.72 -67.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.532 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -164.31 165.32 21.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.145 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.5 p90 -150.94 152.45 33.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.831 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.3 0.41 45.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.123 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 13.9 101.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.053 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.44 107.74 9.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.27 175.35 21.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.097 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.705 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -47.41 -31.23 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.739 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 84.38 -179.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.389 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.582 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.1 tp10 -135.72 -37.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.63 -142.05 6.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.073 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.91 129.38 54.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 79.26 3.93 88.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -170.91 134.09 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.798 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -137.79 -160.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.53 125.62 21.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.624 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.977 HD12 HG13 ' A' ' 86' ' ' ILE . 3.4 pt -139.25 139.79 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.637 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.4 p -137.51 166.07 24.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.58 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -63.27 -33.74 76.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -29.53 63.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.257 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.422 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 14.8 t0 -78.36 170.14 17.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.053 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.7 118.01 14.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.92 HD12 HG23 ' A' ' 74' ' ' VAL . 6.7 pt -165.02 133.58 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.666 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -152.51 157.82 33.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.562 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 8.4 2.44 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' A' ' 109' ' ' THR . 10.6 t90 73.51 -58.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.989 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.61 ' O ' HG23 ' A' ' 109' ' ' THR . 18.5 t70 -68.16 51.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.8 p -158.32 -54.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.022 HD22 ' HB3' ' A' ' 114' ' ' GLN . 45.3 mt 6.51 -107.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.659 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 145.01 -39.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.616 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.57 -65.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 8' ' ' PRO . 2.5 m -49.21 -24.79 1.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.453 1.096 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.022 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -85.65 -30.7 23.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.69 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -76.16 -40.84 51.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.443 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.11 -18.66 63.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.667 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.45 -14.03 29.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.056 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.855 HD22 ' CE2' ' A' ' 53' ' ' PHE . 57.5 mt -69.99 -30.86 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.7 p -137.24 118.27 10.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.87 97.19 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.564 1.823 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.739 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.6 p -117.55 -133.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.739 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 34.44 86.51 0.13 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.638 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.795 ' O ' HG22 ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.03 4.57 4.63 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.512 1.796 . . . . 0.0 111.0 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.508 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.3 OUTLIER -141.66 -44.48 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.4 mt-30 -63.73 -6.64 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.797 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.73 -37.14 27.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.854 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 2.0 m-85 -88.03 2.42 51.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 m -111.79 -15.22 13.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.291 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.02 -40.19 8.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.603 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.95 173.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.78 15.16 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.78 HG23 ' HD3' ' A' ' 56' ' ' PRO . 10.7 p -166.47 87.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.01 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.2 120.37 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.621 HG13 HG22 ' A' ' 21' ' ' THR . 0.8 OUTLIER -145.49 124.63 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.172 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.609 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.6 tmm_? -78.63 41.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.856 ' CG2' HD12 ' A' ' 47' ' ' ILE . 1.1 t -63.55 175.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.514 ' HG2' HG22 ' A' ' 50' ' ' ILE . 16.3 ptmt -129.0 119.13 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.894 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.6 105.0 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.73 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.9 m -107.83 -36.21 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.0 t -115.51 163.25 16.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.055 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.2 mp0 -148.13 -176.54 5.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.2 ttpt -151.29 111.71 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.474 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -74.8 92.55 2.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.524 HG13 ' HG2' ' A' ' 27' ' ' LYS . 30.1 m -102.5 86.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -46.87 147.48 1.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.365 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.629 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.3 t -132.29 30.86 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.07 -173.27 10.19 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -83.97 165.25 18.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.3 t0 -95.64 -161.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.52 0.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -107.41 -1.93 21.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.31 -7.99 79.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -79.29 153.41 76.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.01 129.04 11.96 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.521 1.8 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 31' ' ' SER . 59.6 mt -70.52 -95.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.475 ' N ' HG22 ' A' ' 40' ' ' ILE . 25.4 ttmt 74.81 121.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.208 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.635 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -125.83 66.04 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.049 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -35.43 146.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.653 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.1 mm-40 -88.45 -179.49 6.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.932 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -138.07 66.53 1.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.484 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.0 tt0 -63.05 69.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 1.01 HD11 ' O ' ' A' ' 60' ' ' ILE . 2.0 pt -66.03 -169.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.523 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -126.64 0.03 6.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 51.66 112.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.604 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -122.38 -31.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.12 163.59 37.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.71 69.55 1.26 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.058 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.2 m-85 -37.96 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.533 1.146 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.74 73.52 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.35 -164.66 11.81 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.78 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.0 Cg_endo -75.08 -168.74 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.561 1.822 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -88.73 -36.92 15.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.651 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.31 -77.86 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.651 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.7 t70 140.87 159.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.011 HD13 ' O ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -112.08 77.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.24 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.472 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -72.87 -9.63 58.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 110.346 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 4.8 m-85 -131.96 89.95 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.973 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -92.52 168.49 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.628 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 15.7 m-85 -120.85 148.67 43.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.824 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.9 t -164.95 -166.18 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.448 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.609 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -107.08 147.84 35.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.049 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -157.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.02 -170.81 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.945 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.67 52.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 58.77 98.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.511 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -104.62 -34.82 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.631 ' O ' ' HA ' ' A' ' 99' ' ' THR . 67.3 m -134.02 21.39 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.257 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.682 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -158.37 -157.79 8.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.935 HG23 HD12 ' A' ' 104' ' ' ILE . 91.3 t -113.5 1.72 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.63 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 30.07 82.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.96 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.11 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.94 134.11 46.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.61 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -119.78 -8.7 9.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.73 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.9 t 73.92 -13.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -80.08 -9.15 86.97 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.498 1.123 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.509 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -129.91 -32.02 0.57 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.543 ' HZ1' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -96.41 -100.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 0.789 . . . . 0.0 109.25 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 164.86 -57.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -167.1 166.5 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.337 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.141 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.5 p90 -151.14 152.56 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.765 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.1 3.11 36.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.141 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.83 101.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.06 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.39 108.35 10.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.03 179.15 19.61 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.73 -32.65 14.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 0.813 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.65 174.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.527 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.3 tp10 -136.45 -42.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -155.0 -135.23 2.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.065 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 1.011 ' O ' HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -113.59 -38.81 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 59' ' ' ASP . . . -106.33 14.39 43.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.796 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -172.46 132.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 1.001 ' CG ' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -134.44 -170.74 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -122.26 130.25 53.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.973 HD13 HG21 ' A' ' 63' ' ' ILE . 6.3 pt -142.74 131.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.677 ' O ' HD11 ' A' ' 104' ' ' ILE . 7.0 p -131.43 163.82 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.509 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -62.97 -28.29 69.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -28.95 49.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.439 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 24.2 t0 -80.71 170.2 16.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.06 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.35 117.79 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.935 HD12 HG23 ' A' ' 74' ' ' VAL . 6.5 pt -165.65 134.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.696 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.57 157.69 32.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.597 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.95 7.48 2.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.59 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 7.2 t90 75.49 -60.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 107.96 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.645 ' O ' HG23 ' A' ' 109' ' ' THR . 38.2 t0 -69.33 52.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.153 . . . . 0.0 109.219 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.2 p -159.08 -56.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.942 HD22 ' HB3' ' A' ' 114' ' ' GLN . 54.9 mt 10.98 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 147.23 -41.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.939 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.5 -64.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.795 HG22 ' O ' ' A' ' 8' ' ' PRO . 4.3 m -49.62 -27.33 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.942 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -82.8 -33.17 27.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.599 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -73.29 -41.95 63.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.452 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.81 -19.83 62.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.636 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.37 -11.35 35.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.058 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 47.7 mt -72.77 -29.34 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.6 p30 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.507 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.8 p -103.2 107.31 55.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.061 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 125.85 9.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.782 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.776 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -152.34 -133.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.776 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.94 86.22 0.14 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.557 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.591 ' O ' HG22 ' A' ' 113' ' ' THR . 18.5 Cg_endo -74.99 0.31 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.512 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.4 OUTLIER -136.04 -43.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.483 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -62.49 -7.37 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.371 1.044 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.811 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.39 -34.98 25.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.228 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.865 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -90.54 5.04 49.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.5 m -114.35 -8.77 12.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.337 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.11 -39.58 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.583 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.08 172.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.98 16.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.691 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 12.5 p -165.77 83.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.033 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -97.15 118.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.703 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -143.78 124.86 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.665 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.7 mtm180 -76.97 38.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.911 HG21 HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.05 173.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HG2' HG22 ' A' ' 50' ' ' ILE . 15.1 ptmt -126.51 119.94 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.847 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.77 97.95 10.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.589 ' CG1' HG11 ' A' ' 78' ' ' VAL . 5.4 m -101.23 -36.14 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.509 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.0 t -112.39 162.29 15.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.3 mp0 -149.6 -179.33 7.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.624 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.0 ttpt -146.53 111.56 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.736 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.3 tt0 -74.08 92.11 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.485 HG13 ' HG2' ' A' ' 27' ' ' LYS . 33.6 m -107.13 118.0 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 1.4 m-20 -67.32 153.31 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.559 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.8 t -135.62 24.93 3.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.44 179.76 35.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.4 m120 -84.34 164.11 19.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.6 t70 -95.09 -161.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.784 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.75 0.88 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -108.73 -1.57 19.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.46 -8.39 79.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.524 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.5 p-10 -78.24 152.31 78.94 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.01 129.66 12.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.559 HD12 ' O ' ' A' ' 31' ' ' SER . 62.5 mt -67.12 -87.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.373 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 20.2 ttmm 75.24 128.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.67 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -132.21 65.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.998 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -36.23 144.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.67 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 9.0 mm-40 -87.57 178.87 6.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.972 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.73 67.02 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.509 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.6 tt0 -62.23 70.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.911 HD12 HG21 ' A' ' 21' ' ' THR . 3.1 pt -67.34 -175.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.429 1.081 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.6 ttpt -122.0 -1.75 9.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.469 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.34 119.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.577 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -127.74 -31.74 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.481 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.81 167.82 25.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.363 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.598 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.7 68.19 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.062 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.1 m-85 -37.98 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.639 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -128.36 66.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.83 -158.77 10.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.487 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.02 -177.76 3.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.482 1.78 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.52 -34.44 25.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.3 -78.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.9 t70 152.31 171.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.69 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.6 mm -97.95 -71.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.592 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.95 -8.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.225 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.555 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.6 m-85 -146.48 99.2 3.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.082 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -107.54 168.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.634 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.0 m-85 -123.39 149.49 44.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.82 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.2 t -164.63 -166.26 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.36 150.43 38.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.998 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.97 -159.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.4 OUTLIER 57.87 -168.59 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.032 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -69.6 53.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.519 ' HB2' ' C ' ' A' ' 74' ' ' VAL . . . 53.31 99.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.574 ' CG2' ' N ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -103.05 -55.84 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.735 ' O ' HG22 ' A' ' 99' ' ' THR . 79.8 m -104.19 11.09 35.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.271 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.57 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.84 -150.55 5.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.604 1.19 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.855 HG23 ' CD1' ' A' ' 104' ' ' ILE . 75.8 t -120.45 0.51 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.517 ' C ' ' O ' ' A' ' 74' ' ' VAL . 6.3 p 28.88 82.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.12 . . . . 0.0 109.939 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.986 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.57 132.33 49.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 80' ' ' GLY . 2.7 p30 -108.86 -8.95 15.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 82' ' ' LYS . 3.0 t 70.27 -52.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -48.44 -13.86 0.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -119.12 -29.66 1.75 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.525 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.23 -92.98 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.817 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.58 -86.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 8.0 mp0 -150.04 147.0 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.242 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.165 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.8 p90 -124.37 154.97 39.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.597 1.185 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.745 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.76 2.94 39.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.165 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.69 102.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.04 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.05 109.24 11.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.576 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.27 175.25 24.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -42.27 -37.82 1.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 0.746 . . . . 0.0 109.25 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.691 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 84.05 174.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.529 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.5 tp10 -134.99 9.02 3.52 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 125.1 -122.06 4.52 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.567 1.167 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 2.6 m-20 -130.15 144.75 51.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.58 -2.73 62.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.69 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.36 144.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.703 ' HE3' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -147.91 -169.57 3.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.37 128.28 44.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.082 HD13 HG21 ' A' ' 63' ' ' ILE . 2.2 pt -139.8 144.22 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -143.91 167.48 22.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.692 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -61.8 -49.34 76.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.651 ' H ' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -61.83 -18.44 60.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.38 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.428 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.0 t0 -89.63 166.6 13.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.04 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -70.28 115.83 9.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.855 ' CD1' HG23 ' A' ' 74' ' ' VAL . 7.2 pt -164.78 130.0 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.682 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -151.04 157.28 35.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.585 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.05 10.9 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.525 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 13.2 t90 71.05 -59.31 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 108.065 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 109' ' ' THR . 32.0 t0 -68.85 51.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.692 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.6 p -159.07 -54.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.002 HD22 ' HB3' ' A' ' 114' ' ' GLN . 38.9 mt 6.74 -107.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 147.06 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.5 -64.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 8' ' ' PRO . 1.6 m -49.45 -23.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.002 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -86.37 -36.1 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.246 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.644 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.3 mtmt -70.41 -42.06 72.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.464 ' O ' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -62.11 -18.87 62.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.64 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.81 -13.14 27.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.062 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 40.6 mt -69.32 -30.03 67.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.5 p30 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.477 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 60.0 p -83.79 113.12 45.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.3 Cg_endo -74.99 96.3 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.441 1.759 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.722 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.0 p -119.04 -132.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.722 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.57 85.68 0.15 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.642 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -16.99 19.77 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.544 1.813 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.487 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.2 OUTLIER -121.44 -41.69 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.0 mt-30 -64.14 -6.03 5.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.192 . . . . 0.0 110.328 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.47 -38.28 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.899 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -87.93 -0.75 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.1 m -107.31 -13.87 15.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -99.0 -40.61 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.556 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.78 171.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.32 14.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.922 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 2.7 p -164.59 87.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.055 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -99.07 118.89 46.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.589 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -145.76 125.8 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.404 1.065 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.701 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.2 ttp180 -76.67 41.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.782 HG21 HD12 ' A' ' 47' ' ' ILE . 2.1 t -62.39 169.98 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.533 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.0 ptmt -125.32 119.81 29.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.857 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.14 103.13 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.944 HG12 HG11 ' A' ' 78' ' ' VAL . 3.4 m -106.12 -38.68 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -113.44 160.91 17.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.923 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.4 mp0 -144.79 -176.52 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.341 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.5 ttpt -152.85 114.41 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.462 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.6 tt0 -74.15 91.65 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.568 HG13 ' HG2' ' A' ' 27' ' ' LYS . 5.6 m -97.64 94.09 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.516 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -44.85 144.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.669 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -132.56 18.9 4.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.014 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.03 -175.03 28.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.3 m-80 -84.63 166.57 16.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.9 t0 -96.16 -162.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.791 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.71 0.86 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.84 -0.46 19.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.58 -7.9 79.32 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.524 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.4 p-10 -78.7 153.51 78.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.05 129.25 12.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.55 1.816 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.669 HG21 ' OG ' ' A' ' 31' ' ' SER . 46.0 mt -70.27 -83.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.551 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.05 123.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.615 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -129.18 66.95 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.0 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -39.21 147.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.649 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 9.3 mm-40 -90.06 179.13 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.918 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -135.62 70.57 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.505 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 7.7 tt0 -64.79 67.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.857 HG22 ' CA ' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -63.25 -166.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.631 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -133.98 8.72 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.631 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER 47.57 117.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.562 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -123.72 -31.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -150.65 168.75 23.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.621 ' HE2' ' H ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -146.87 65.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.388 1.055 . . . . 0.0 110.968 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.633 ' CE2' HD21 ' A' ' 118' ' ' LEU . 24.7 m-85 -42.59 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.608 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -124.8 70.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.621 ' H ' ' HE2' ' A' ' 52' ' ' MET . . . -124.75 -154.25 8.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.09 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.02 -170.01 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.445 1.761 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.04 -35.5 15.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -86.2 -78.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.498 ' CG ' ' N ' ' A' ' 60' ' ' ILE . 4.0 t70 156.64 171.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.616 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.2 mm -98.22 -72.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.595 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 74.53 -9.58 1.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -146.87 97.17 2.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.03 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -105.69 167.1 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.649 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.4 m-85 -121.22 149.99 42.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.827 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.0 t -165.67 -161.82 0.53 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.358 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.576 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -107.8 152.64 41.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.0 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.93 -161.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.679 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 22.6 t -81.75 32.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 84.54 95.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.614 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -104.67 -35.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.672 ' O ' HG22 ' A' ' 99' ' ' THR . 17.8 m -127.27 9.67 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.652 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -149.73 -152.12 5.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.907 HG23 HD12 ' A' ' 104' ' ' ILE . 87.8 t -115.36 -0.25 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.644 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 32.47 84.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.056 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.165 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.45 137.12 42.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.476 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 1.1 p30 -124.21 0.08 8.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.42 1.075 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.053 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.4 t 70.58 -57.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.16 -12.86 0.89 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.561 1.163 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.475 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.73 -29.27 2.08 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.574 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -112.3 -94.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.053 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.71 -83.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.4 mp0 -146.75 159.28 43.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.165 ' CE2' HD13 ' A' ' 76' ' ' LEU . 3.1 p90 -145.07 151.33 38.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.796 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -81.39 4.43 20.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.131 HD13 ' CD1' ' A' ' 84' ' ' TYR . 0.6 OUTLIER 9.99 101.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.055 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -129.74 103.9 7.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -158.63 161.76 32.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -34.43 97.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.922 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -62.6 176.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.505 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 16.7 tp10 -126.78 8.54 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.5 -115.76 1.99 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -137.66 140.24 40.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 80.1 -0.59 83.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.06 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.616 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.01 145.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.694 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -149.97 -168.04 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -129.0 129.57 45.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.03 HD13 HG21 ' A' ' 63' ' ' ILE . 3.4 pt -140.74 149.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.3 OUTLIER -147.87 164.92 32.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.433 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -60.31 -48.41 81.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.53 ' H ' HD23 ' A' ' 100' ' ' LEU . 4.3 t -61.45 -24.56 66.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 108.253 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.417 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.4 t0 -82.18 167.85 18.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.031 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.14 117.09 12.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.907 HD12 HG23 ' A' ' 74' ' ' VAL . 6.2 pt -165.03 132.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.625 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.89 157.87 32.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.573 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 5.72 3.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.426 1.751 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.701 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 5.6 t90 76.99 -58.14 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 109' ' ' THR . 8.7 t0 -69.84 51.12 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.7 p -159.01 -55.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.349 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.99 HD22 ' HB3' ' A' ' 114' ' ' GLN . 48.7 mt 10.71 -107.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.79 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.595 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.12 -65.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.49 ' N ' HG22 ' A' ' 112' ' ' THR . 30.5 m -49.84 -28.89 7.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.99 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -81.26 -31.14 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.576 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -73.7 -43.22 59.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.442 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -62.33 -22.47 66.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.673 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -90.65 -19.65 23.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.633 HD21 ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -66.83 -29.54 69.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.381 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.5 p30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.369 179.939 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 5.1 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.453 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 77.9 p -97.98 110.19 54.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.04 11.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.767 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.8 p -155.54 -133.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.767 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 40.4 87.84 0.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.524 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.93 -2.94 13.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.515 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.6 OUTLIER -133.65 -44.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -60.42 -8.55 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.809 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.53 -34.07 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.863 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -89.68 7.59 35.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.69 -13.06 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.317 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.91 -34.34 10.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.375 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.638 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -59.52 172.42 0.68 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 88' ' ' GLY . 15.3 m-20 -151.72 14.85 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.791 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 5.5 p -166.53 85.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.932 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.58 118.19 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.607 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -142.26 126.53 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.695 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.5 mtm180 -78.39 38.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.976 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.71 165.99 4.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 14.6 ptmt -120.23 121.65 39.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.831 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.75 101.17 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.728 ' CG1' HG11 ' A' ' 78' ' ' VAL . 6.7 m -104.79 -36.08 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.527 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -113.65 160.56 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -148.52 -176.33 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.1 ttpt -153.74 113.95 3.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.555 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 0.4 OUTLIER -75.12 96.11 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.338 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.561 HG13 ' HG2' ' A' ' 27' ' ' LYS . 9.6 m -103.26 80.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -44.55 140.19 2.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.552 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.9 t -126.09 32.33 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 58.28 -170.91 4.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.57 1.169 . . . . 0.0 110.955 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.513 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.9 m120 -84.31 165.49 18.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.62 -162.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.766 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.7 1.24 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -108.6 -1.12 19.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.05 -8.42 78.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.513 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.7 p-10 -78.15 152.69 79.46 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.5 Cg_endo -74.96 129.86 12.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.445 1.761 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 31' ' ' SER . 37.9 mt -74.71 -94.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.499 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 14.7 ttmt 72.13 120.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.252 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.61 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.2 ptt180 -124.53 67.47 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.555 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 1.3 mp -38.89 148.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.663 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 9.9 mm-40 -89.69 177.6 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.959 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.26 68.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.527 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.0 tt0 -63.4 68.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.976 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.9 pt -66.87 -174.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.588 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -121.94 9.31 9.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.588 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.9 mm100 37.94 102.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.502 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -111.46 -34.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.489 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -143.7 161.59 38.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.346 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.479 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -143.07 71.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 111.04 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.964 ' CE2' HD22 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -37.64 -78.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.922 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -128.82 70.42 1.39 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.42 -164.8 13.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.721 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.97 -174.81 2.07 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.565 1.824 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.48 -33.17 15.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.623 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -72.35 -78.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.623 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.9 t70 146.57 165.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.646 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -107.89 -79.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 74.27 -10.2 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.7 m-85 -140.95 93.77 2.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.038 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -101.21 168.21 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.663 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.7 m-85 -123.34 151.65 42.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.921 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 10.0 t -166.97 -164.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.08 . . . . 0.0 110.465 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.591 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -110.77 149.28 40.13 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.499 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.06 -159.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER 58.68 -171.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.03 -179.939 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -68.8 54.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.719 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 54.62 95.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.603 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -101.81 -37.53 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.795 ' O ' HG22 ' A' ' 99' ' ' THR . 10.6 m -127.42 16.13 7.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 108.274 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.719 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -156.77 -151.29 5.93 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.985 HG23 HD12 ' A' ' 104' ' ' ILE . 88.6 t -118.95 4.32 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 74' ' ' VAL . 69.3 p 29.32 81.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.109 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.33 130.68 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.628 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -116.94 -10.22 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.728 HG11 ' CG1' ' A' ' 24' ' ' VAL . 3.5 t 75.0 -12.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -79.65 -9.81 86.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.501 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -131.0 -26.6 0.75 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.532 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -100.88 -99.6 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.741 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.547 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 163.92 -57.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.547 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -168.21 168.97 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.156 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -151.77 152.83 33.22 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.812 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.37 2.68 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.156 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.94 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.01 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.17 110.57 13.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.227 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.464 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.1 -178.82 19.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.694 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.43 -33.66 31.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.791 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 83.48 174.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.516 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.9 tp10 -133.25 4.92 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.81 -121.46 3.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.87 140.92 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 81.04 -2.58 80.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.646 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.96 144.25 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.571 0.807 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.705 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.18 -169.49 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.39 130.94 51.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.636 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.038 HD13 HG21 ' A' ' 63' ' ' ILE . 6.5 pt -142.7 139.85 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.795 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -141.58 162.75 34.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.387 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.553 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.7 OUTLIER -57.04 -46.88 82.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 4.9 t -61.29 -30.07 70.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 108.291 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.407 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.7 t0 -79.1 167.08 21.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.01 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.29 115.88 9.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 111.028 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.985 HD12 HG23 ' A' ' 74' ' ' VAL . 7.1 pt -164.56 130.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.655 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.34 157.45 39.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.595 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.95 10.74 1.61 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.521 1.801 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.506 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 13.3 t90 71.62 -60.65 0.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 107.935 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.665 ' O ' HG23 ' A' ' 109' ' ' THR . 15.4 t0 -68.41 52.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.686 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.2 p -159.23 -54.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.421 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.037 HD22 ' HB3' ' A' ' 114' ' ' GLN . 60.3 mt 8.48 -107.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 146.1 -41.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.592 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.18 -66.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.524 ' N ' HG22 ' A' ' 112' ' ' THR . 1.2 m -47.78 -25.37 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.037 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -84.4 -34.67 23.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.998 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -70.24 -41.82 73.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.909 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.429 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -63.18 -19.39 64.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.595 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -93.9 -4.86 49.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.998 HD12 ' HA ' ' A' ' 115' ' ' LYS . 25.9 mt -86.02 -24.19 26.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.5 p30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 179.99 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.459 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.5 p -100.5 107.12 46.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -74.96 118.06 5.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.716 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.3 p -143.63 -133.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.716 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.3 97.73 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.573 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.477 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.03 -30.97 6.55 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.5 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -115.49 -34.16 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.579 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -61.61 -12.1 14.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.812 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.45 -35.19 25.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.88 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -90.69 4.31 51.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 m -113.1 -11.6 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.579 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -101.65 -40.46 6.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.605 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.79 171.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -151.99 16.42 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.58 1.175 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.824 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 5.3 p -166.0 83.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.978 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -96.74 117.6 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.593 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -141.81 126.94 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.645 ' NH1' ' CZ2' ' A' ' 107' ' ' TRP . 7.4 mtm180 -79.55 40.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.942 HG21 HD12 ' A' ' 47' ' ' ILE . 2.4 t -60.36 175.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HG2' HG22 ' A' ' 50' ' ' ILE . 15.0 ptmt -128.53 119.74 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.798 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.53 108.26 20.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.798 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.4 m -111.7 -37.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 4.0 t -112.28 164.58 13.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.1 mp0 -147.96 -172.49 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.66 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.7 ttpt -153.24 118.79 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' C ' ' HZ2' ' A' ' 41' ' ' LYS . 5.2 tt0 -79.77 93.0 5.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.602 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 35.5 m -106.88 91.43 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.04 136.01 19.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.579 1.174 . . . . 0.0 109.237 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' HD12 ' A' ' 40' ' ' ILE . 4.7 t -116.9 36.47 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 48.17 -169.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.564 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.1 m-20 -84.86 164.77 18.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 0.739 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 2.6 t70 -97.21 -160.85 0.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -79.86 1.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -105.76 -3.04 22.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.05 -6.17 83.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.564 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 15.5 p-10 -85.47 154.41 59.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.535 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.97 129.65 12.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.777 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 31' ' ' SER . 95.2 mt -71.69 -81.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 1.022 ' HZ3' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER 72.06 120.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.541 ' N ' ' HE2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -137.24 80.48 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 110.294 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.022 HD12 ' HZ3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -53.02 153.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.944 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.66 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.0 mm-40 -89.54 178.94 6.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 110.23 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 1.115 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.74 67.42 1.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.7 tt0 -62.65 71.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.942 HD12 HG21 ' A' ' 21' ' ' THR . 2.8 pt -67.58 -175.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.6 OUTLIER -123.07 -1.07 8.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.514 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.2 125.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.578 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -133.87 -32.8 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.68 167.41 26.51 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.447 1.092 . . . . 0.0 109.197 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -146.61 68.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.102 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -37.8 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.658 ' HB3' HG23 ' A' ' 18' ' ' VAL . 9.6 tptp -127.27 65.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.2 -159.21 10.79 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.06 178.65 6.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.612 1.849 . . . . 0.0 111.034 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.87 -33.87 34.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.52 -80.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.8 t70 153.43 171.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.631 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.5 mm -98.89 -72.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.562 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 73.7 -7.97 1.48 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -146.75 96.36 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.057 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.32 169.91 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.59 ' CE2' ' OE1' ' A' ' 44' ' ' GLN . 7.6 m-85 -122.55 157.96 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.055 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 1.115 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.0 t -175.12 -160.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.682 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -109.13 147.95 36.97 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.946 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.95 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.35 -168.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.952 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.9 p -70.6 51.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.584 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 58.12 107.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.544 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -113.91 -38.52 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.684 ' HA ' HD22 ' A' ' 100' ' ' LEU . 11.2 m -124.14 12.84 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.554 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.74 -151.38 5.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.916 HG23 HD12 ' A' ' 104' ' ' ILE . 92.4 t -115.34 -0.42 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.584 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 18.6 p 34.61 88.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.005 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -110.48 134.93 51.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.495 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -125.4 1.84 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.054 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.6 t 71.16 -57.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.13 -8.76 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -119.88 -19.45 4.04 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.498 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -126.56 -94.03 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 0.781 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.054 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.07 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.2 mp0 -145.78 146.66 31.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.152 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -128.29 154.6 45.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.765 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.7 2.6 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.152 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.77 102.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.94 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.065 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.84 110.61 13.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.602 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.44 -179.37 19.25 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.516 1.135 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.9 tttm -56.43 -22.85 34.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 0.733 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.824 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 76.36 177.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.539 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.7 tp10 -135.61 -42.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.593 ' O ' ' C ' ' A' ' 93' ' ' ASP . . . 165.78 126.12 0.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.593 ' C ' ' O ' ' A' ' 92' ' ' GLY . 1.4 m-20 -24.49 133.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.75 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 87.05 -6.09 83.96 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.558 1.161 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.631 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -174.19 143.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 0.801 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.692 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.85 -170.08 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 129.59 45.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.533 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.057 HD13 HG21 ' A' ' 63' ' ' ILE . 4.4 pt -140.71 141.83 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.583 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.8 OUTLIER -139.86 163.41 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.461 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.684 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -57.78 -43.34 85.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.615 1.197 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -64.47 -33.11 75.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 108.301 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.458 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 6.2 t0 -74.52 166.96 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.065 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.48 117.81 12.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.916 HD12 HG23 ' A' ' 74' ' ' VAL . 6.4 pt -164.88 134.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.632 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.09 156.98 31.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.588 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -74.96 11.1 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.047 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.645 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 11.8 t90 71.13 -59.77 0.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 108.048 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.662 ' O ' HG23 ' A' ' 109' ' ' THR . 25.6 t0 -68.64 51.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.693 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.1 p -159.09 -52.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.045 HD22 ' HB3' ' A' ' 114' ' ' GLN . 43.1 mt 6.93 -106.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.65 -41.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.617 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.25 -60.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.607 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 44.8 m -53.13 -23.58 8.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.045 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -86.35 -36.57 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.328 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.631 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.2 mtmt -69.07 -40.04 78.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.223 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.607 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 1.1 pttt -63.14 -17.35 62.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.639 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.92 -14.26 24.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.102 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 48.0 mt -69.71 -29.7 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.1 p30 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.956 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.624 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.2 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.47 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 87.3 p -99.68 116.44 64.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.481 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.98 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.744 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.0 p -133.31 -133.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.744 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 39.26 84.31 0.18 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.569 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 1.83 7.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.591 1.837 . . . . 0.0 110.946 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.482 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.4 OUTLIER -136.05 -43.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.7 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -63.91 -7.63 8.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.279 -179.942 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.781 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.4 -34.75 28.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.89 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -90.45 4.88 49.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -113.71 -12.33 12.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 108.345 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.7 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -101.79 -38.94 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.56 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.52 169.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.84 13.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.842 HG21 ' SD ' ' A' ' 96' ' ' MET . 13.6 p -166.04 91.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.006 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -101.03 117.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.564 HG13 HG22 ' A' ' 21' ' ' THR . 0.7 OUTLIER -143.24 126.28 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.671 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.4 ttp180 -78.76 39.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.885 ' CG2' HD12 ' A' ' 47' ' ' ILE . 1.3 t -61.21 175.16 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.552 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.7 ptmt -129.16 118.86 23.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.899 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.05 104.65 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.693 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.8 m -107.54 -34.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.239 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -117.49 167.22 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.954 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -150.78 -179.72 7.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.639 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.6 ttpt -146.63 111.07 5.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.455 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 10.5 tt0 -73.77 90.02 1.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.165 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.532 HG23 ' HG3' ' A' ' 42' ' ' ARG . 33.7 m -103.6 124.81 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.82 161.46 23.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.452 ' HB3' HG22 ' A' ' 40' ' ' ILE . 9.8 t -147.92 18.29 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 79.17 176.28 48.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.539 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 6.5 m-20 -84.61 162.6 19.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.8 t70 -93.56 -162.55 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.765 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.0 0.99 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -108.08 -1.07 20.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.38 -8.16 78.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.539 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.4 p-10 -79.3 153.64 76.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.92 130.58 13.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 31' ' ' SER . 26.4 mt -64.12 -80.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.633 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.8 tppt? 72.27 125.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.676 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -129.81 64.13 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.994 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -35.55 141.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.676 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.5 mm-40 -85.22 -179.51 7.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.942 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.35 67.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.9 tt0 -62.53 70.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.899 HG22 ' CA ' ' A' ' 23' ' ' ALA . 2.5 pt -67.12 -168.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -128.81 0.92 5.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.513 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 55.12 121.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.646 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -128.74 -30.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.418 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 1.5 tttt -150.59 166.59 29.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.461 ' HG3' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.44 60.91 1.22 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.459 1.1 . . . . 0.0 111.063 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.531 ' CE2' HD21 ' A' ' 118' ' ' LEU . 20.7 m-85 -37.39 -82.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.635 ' HB3' HG23 ' A' ' 18' ' ' VAL . 14.7 tptt -120.71 68.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -125.61 -159.13 10.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.686 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.03 -173.7 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.36 -33.95 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.22 -80.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.3 t70 152.78 169.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.609 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.4 mm -103.33 -73.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 74.51 -8.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.607 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -148.74 94.03 2.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.384 1.053 . . . . 0.0 110.952 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.055 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -99.78 170.2 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.716 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -121.38 148.63 44.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.072 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.807 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.2 t -163.41 -164.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.58 ' HB1' HG22 ' A' ' 71' ' ' VAL . . . -105.72 150.93 39.7 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.994 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.94 -158.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.48 -159.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.939 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.751 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 61.2 p -81.74 24.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 91.9 95.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.58 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -101.32 -38.03 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.808 ' O ' HG22 ' A' ' 99' ' ' THR . 0.1 OUTLIER -131.49 23.98 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 108.324 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.557 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -157.92 -157.24 8.33 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.904 HG23 HD12 ' A' ' 104' ' ' ILE . 88.0 t -116.35 0.46 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 0.8 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 74' ' ' VAL . 53.2 p 32.3 81.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 109.959 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.087 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.19 132.31 48.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.552 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -118.76 -7.24 10.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 23' ' ' ALA . 4.1 t 71.38 -9.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -84.4 -6.55 85.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.512 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -134.18 -31.17 0.38 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.565 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -95.45 -100.89 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.486 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 165.98 -64.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.554 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -161.37 163.98 30.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.138 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.5 p90 -149.96 151.09 32.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.812 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -82.43 2.76 31.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.138 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.97 98.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.04 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -124.83 106.28 9.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.444 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -139.36 176.12 21.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.674 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.64 -29.74 7.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 81.69 179.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.594 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.3 tp10 -132.89 -37.59 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.0 -133.89 2.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -113.05 133.79 54.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.94 -9.4 60.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.607 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -164.92 143.97 6.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.842 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -140.97 -160.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.079 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.716 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -136.82 125.91 24.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.055 HD13 HG21 ' A' ' 63' ' ' ILE . 2.1 pt -140.28 146.89 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -147.25 165.11 31.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.084 . . . . 0.0 110.38 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -59.26 -49.13 79.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.466 ' H ' HD23 ' A' ' 100' ' ' LEU . 3.3 t -60.33 -23.93 64.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 108.257 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.468 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.6 t0 -84.41 168.75 15.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.04 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -71.99 114.05 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.904 HD12 HG23 ' A' ' 74' ' ' VAL . 7.5 pt -163.15 132.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.595 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -152.75 157.72 33.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.372 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.583 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.6 Cg_endo -74.9 7.11 2.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.812 ' HD1' HD12 ' A' ' 85' ' ' LEU . 1.7 t90 74.91 -57.99 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.607 ' O ' HG23 ' A' ' 109' ' ' THR . 8.7 t70 -69.37 51.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.893 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.2 p -158.71 -56.82 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.404 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.014 HD22 ' HB3' ' A' ' 114' ' ' GLN . 52.9 mt 12.29 -106.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.665 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 144.61 -41.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.605 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.41 -63.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.337 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 23.4 m -51.53 -25.96 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.014 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -83.51 -33.27 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.641 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -72.8 -42.64 63.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.431 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -63.08 -21.21 66.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.4 -13.83 27.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.968 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.531 HD21 ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -73.42 -26.36 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.613 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.0 p -106.27 124.16 36.68 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.955 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.439 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.97 96.31 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.735 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.1 p -120.85 -132.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.735 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 37.86 84.2 0.19 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 3.36 5.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 113' ' ' THR . 0.4 OUTLIER -139.39 -44.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 110.244 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.6 mt-30 -64.12 -6.18 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.801 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.2 -37.45 23.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.918 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -87.84 -0.66 57.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.8 m -108.42 -12.34 15.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.296 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -100.13 -39.04 8.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.347 179.933 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.601 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.44 175.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -157.76 18.74 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.785 HG23 ' HD3' ' A' ' 56' ' ' PRO . 12.1 p -167.36 78.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.93 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -92.82 120.11 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.651 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.08 124.21 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.5 tmm_? -77.46 41.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.899 ' CG2' HD12 ' A' ' 47' ' ' ILE . 1.4 t -63.54 173.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.419 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.515 ' HE2' ' CG1' ' A' ' 24' ' ' VAL . 17.3 ptmt -126.29 117.54 23.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.912 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.77 97.62 10.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.566 ' CG1' HG11 ' A' ' 78' ' ' VAL . 16.2 m -102.91 -36.64 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.479 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 11.1 t -112.35 157.56 20.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -142.33 -173.66 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.39 1.056 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.4 ttpt -154.87 123.87 6.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 17.5 tt0 -81.18 97.73 7.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.523 HG13 ' HG2' ' A' ' 27' ' ' LYS . 6.5 m -106.15 104.47 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.495 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -53.42 149.55 7.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.669 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -137.83 20.53 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.999 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.6 -177.16 22.73 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.5 m120 -83.86 165.89 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -95.53 -161.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.779 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.16 0.68 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -108.61 -1.12 19.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.33 -8.67 78.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.529 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.22 153.9 79.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.07 129.08 11.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.669 HG21 ' OG ' ' A' ' 31' ' ' SER . 45.5 mt -68.89 -82.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.52 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.23 122.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.583 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.1 ptt180 -130.45 69.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.819 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -39.61 156.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.698 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 10.7 mm-40 -96.21 -177.69 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.868 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.91 67.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 11.0 tt0 -62.9 68.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.912 HG22 ' CA ' ' A' ' 23' ' ' ALA . 2.4 pt -67.75 -170.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.521 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -125.52 0.97 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.521 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.8 mm100 47.94 106.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 110.258 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.552 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -115.31 -34.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.46 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -141.43 158.69 43.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.471 ' CG ' HG22 ' A' ' 19' ' ' ILE . 26.5 ttm -141.26 70.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.062 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.72 ' CE1' HD22 ' A' ' 118' ' ' LEU . 22.6 m-85 -42.27 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 111.054 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.06 77.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.23 -161.8 11.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.785 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.01 -170.49 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -94.39 -33.98 12.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.377 1.048 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -75.76 -82.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.611 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.0 t70 154.71 166.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.592 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -106.06 -79.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.493 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 72.37 -7.28 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.555 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -144.68 93.97 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.009 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -101.33 169.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.654 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 11.3 m-85 -121.39 154.31 36.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.825 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.0 t -175.14 -168.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.406 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -87.95 154.32 52.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.819 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.13 -62.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.549 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -39.69 167.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.031 179.943 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.747 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 20.5 t -35.11 -36.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 156.99 94.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.604 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -102.32 -35.66 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.791 ' O ' HG22 ' A' ' 99' ' ' THR . 29.4 m -131.36 20.2 4.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.588 1.18 . . . . 0.0 108.348 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.74 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -161.06 -154.25 7.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.443 1.09 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.859 HG23 ' CD1' ' A' ' 104' ' ' ILE . 90.6 t -118.78 -7.25 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.58 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 34.37 84.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.967 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.1 131.69 51.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.559 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 3.1 p30 -104.69 -12.23 16.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 82' ' ' LYS . 3.6 t 72.54 -43.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -55.76 -10.12 3.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -124.74 -25.36 1.57 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.486 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -105.83 -92.84 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.797 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.737 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.13 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.936 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.565 ' O ' ' O ' ' A' ' 106' ' ' PRO . 11.7 mp0 -151.16 149.63 29.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.155 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -127.5 154.78 44.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.72 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -85.29 4.11 36.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.155 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.18 103.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.018 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.07 110.18 11.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.659 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.11 170.3 26.57 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.419 1.074 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.683 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -39.73 -35.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.344 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.48 176.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.546 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.7 tp10 -135.24 6.71 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.31 -123.69 4.67 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.35 144.81 51.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.485 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.54 -4.59 59.52 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.592 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.38 146.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.34 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.702 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.46 -167.85 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -127.93 127.55 43.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.628 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.009 HD13 HG21 ' A' ' 63' ' ' ILE . 3.8 pt -140.25 134.76 35.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -134.94 168.74 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.384 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.613 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -62.75 -44.45 96.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.441 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -64.32 -25.59 68.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 108.339 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.433 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.8 t0 -81.61 170.26 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.018 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -74.32 117.93 16.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.859 ' CD1' HG23 ' A' ' 74' ' ' VAL . 6.6 pt -164.5 134.03 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.618 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.69 157.13 32.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.6 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 10.82 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.51 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.5 t90 72.02 -59.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 109' ' ' THR . 46.3 t0 -69.32 52.39 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.7 p -158.97 -55.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.383 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.993 HD22 ' HB3' ' A' ' 114' ' ' GLN . 44.5 mt 10.09 -106.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.26 -41.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.599 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.6 -63.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.464 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 43.7 m -51.79 -25.05 6.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.993 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -84.59 -33.09 23.44 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.76 ' HA ' HD12 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -72.96 -41.85 63.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.424 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -63.41 -20.8 65.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.608 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.47 -18.86 25.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 115' ' ' LYS . 0.4 OUTLIER -69.77 -28.38 65.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.407 1.067 . . . . 0.0 109.342 179.92 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 116' ' ' LYS . 1.4 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.745 ' O ' HD11 ' A' ' 100' ' ' LEU . 3.7 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -120.88 123.95 27.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.958 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 121.53 6.62 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.737 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.2 p -142.8 -133.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.737 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 34.32 88.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 5.56 3.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.605 ' HB2' HG22 ' A' ' 113' ' ' THR . 0.5 OUTLIER -142.99 -46.18 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.496 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -59.38 -9.63 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 110.344 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.826 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.55 -33.44 28.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.855 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -90.96 6.59 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -115.84 -9.53 11.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 108.296 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.29 -38.97 6.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.645 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -51.97 171.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.392 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.44 14.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.783 HG21 ' SD ' ' A' ' 96' ' ' MET . 10.8 p -166.67 84.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.031 HG13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.56 121.11 46.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.542 HD11 ' HE2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -145.86 125.36 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.676 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.2 ttp180 -77.54 38.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.857 HG21 HD12 ' A' ' 47' ' ' ILE . 2.0 t -60.23 178.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.513 ' HG2' HG22 ' A' ' 50' ' ' ILE . 13.9 ptmt -132.65 118.88 19.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.849 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.52 106.8 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.847 HG12 HG11 ' A' ' 78' ' ' VAL . 2.3 m -109.05 -35.31 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.502 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.95 168.05 10.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.0 mp0 -151.87 174.66 13.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.662 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.0 ttpt -139.18 111.8 7.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.619 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.2 tt0 -73.9 93.92 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.511 HG13 ' HG2' ' A' ' 27' ' ' LYS . 34.7 m -108.71 112.75 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.664 ' CG ' ' HZ3' ' A' ' 41' ' ' LYS . 2.2 m-20 -61.82 155.42 23.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.526 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.8 t -139.51 21.29 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.01 -178.87 36.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.523 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.2 m120 -84.75 162.47 19.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 0.784 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.5 t0 -93.79 -162.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.767 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -80.34 0.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -107.88 -1.87 20.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.26 -8.74 77.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.523 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.7 p-10 -78.79 153.29 78.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.06 130.08 12.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.45 1.763 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 31' ' ' SER . 67.0 mt -68.91 -82.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.664 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 20.9 ttmm 68.44 125.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.63 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -129.01 71.81 1.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.048 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -43.5 143.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.662 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.6 mm-40 -86.14 -179.74 6.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 1.012 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.68 67.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 15.0 tt0 -61.64 71.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.857 HD12 HG21 ' A' ' 21' ' ' THR . 2.7 pt -68.48 -171.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -126.04 1.14 7.25 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.497 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 53.76 115.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.564 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -126.5 -25.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.497 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -155.87 163.51 39.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.448 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -145.82 69.11 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 111.075 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.104 ' CE2' HD22 ' A' ' 118' ' ' LEU . 2.0 m-85 -38.86 -78.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.8 78.02 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.2 -155.68 7.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.105 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.578 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.02 -174.15 1.83 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.443 1.759 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -93.37 -32.61 14.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -78.25 -79.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 5.0 t70 151.62 169.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.643 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.6 mm -101.85 -73.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.55 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 73.66 -8.16 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.621 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -149.48 96.55 2.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 0.0 111.059 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.965 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -102.12 169.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.925 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.714 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -119.27 153.33 35.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 1.012 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 10.1 t -169.89 -159.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -109.88 149.83 40.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.048 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.0 -159.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.797 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.428 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.7 OUTLIER 55.21 -171.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.943 179.961 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 p -70.42 53.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.619 ' HB2' ' OG ' ' A' ' 75' ' ' SER . . . 60.99 100.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.682 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -110.6 -27.29 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.744 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 8.7 m -136.36 10.52 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.586 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.31 -152.4 5.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.122 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.825 HG23 ' CD1' ' A' ' 104' ' ' ILE . 51.4 t -114.22 -2.3 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.368 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.619 ' OG ' ' HB2' ' A' ' 70' ' ' ALA . 88.2 p 36.29 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.982 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -110.91 135.09 51.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.453 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -125.04 2.36 7.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.248 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.92 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 70.09 -55.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -56.58 -11.67 5.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.418 1.074 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.444 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -117.47 -25.5 3.15 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -116.43 -91.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 0.736 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.92 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 161.17 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.553 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -151.73 161.98 41.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.145 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -149.45 152.76 36.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.807 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -83.31 1.51 40.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.145 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 12.05 99.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.031 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -126.02 108.42 11.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.569 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.68 171.01 24.95 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.4 tttm -43.44 -32.68 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 0.812 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.03 179.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.574 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -131.93 -38.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.64 -133.14 2.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -113.51 133.72 55.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.13 -3.43 71.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.621 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -168.61 140.77 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 0.0 109.368 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.783 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -138.9 -159.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.714 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -140.23 125.42 18.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.968 HD12 HG13 ' A' ' 86' ' ' ILE . 1.5 pt -139.94 146.87 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -142.42 165.38 27.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.745 HD11 ' O ' ' A' ' 3' ' ' CYS . 1.1 pt? -58.69 -48.41 81.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.461 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -61.37 -30.17 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.259 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.48 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.1 t0 -75.05 165.37 25.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.409 1.068 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.962 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -69.95 114.53 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.835 HG22 ' HA ' ' A' ' 86' ' ' ILE . 7.0 pt -163.23 128.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.481 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.68 157.45 38.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.568 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 6.6 3.28 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.44 1.758 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.807 ' HD1' HD12 ' A' ' 85' ' ' LEU . 1.7 t90 75.33 -57.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.582 ' O ' HG23 ' A' ' 109' ' ' THR . 38.1 t0 -69.27 50.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.71 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.9 p -158.18 -54.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.022 HD22 ' HB3' ' A' ' 114' ' ' GLN . 39.9 mt 5.02 -106.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.9 m 146.12 -41.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.592 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.37 -65.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.462 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.605 HG22 ' HB2' ' A' ' 9' ' ' GLN . 32.1 m -49.01 -22.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.022 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -88.08 -34.71 17.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.296 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.89 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -71.32 -39.7 71.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.498 ' O ' ' OD1' ' A' ' 119' ' ' ASN . 0.0 OUTLIER -63.61 -15.34 57.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.601 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -99.65 -9.0 23.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.104 HD22 ' CE2' ' A' ' 53' ' ' PHE . 3.4 mt -87.8 -27.44 22.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.498 ' OD1' ' O ' ' A' ' 116' ' ' LYS . 1.2 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.403 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.5 p -99.31 110.14 57.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 128.34 11.47 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.529 1.805 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.746 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.5 p -156.17 -133.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.746 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.7 OUTLIER 39.01 85.85 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.609 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.61 ' O ' HG22 ' A' ' 113' ' ' THR . 18.3 Cg_endo -74.99 1.29 7.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.535 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.7 OUTLIER -136.13 -45.51 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.449 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -60.41 -8.07 2.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 110.308 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.798 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.99 -33.84 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.398 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.854 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -91.38 6.03 46.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -115.69 -8.96 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.449 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -104.88 -40.15 6.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.585 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.66 170.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.53 14.55 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.746 HG21 ' SD ' ' A' ' 96' ' ' MET . 11.3 p -166.33 89.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.996 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -99.88 117.59 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.635 HD12 ' OE1' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -142.2 126.15 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.3 tmm_? -77.82 38.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.977 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.0 t -60.95 167.47 2.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.538 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 16.2 ptmt -122.25 120.73 34.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.872 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.28 102.91 15.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.686 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.9 m -104.77 -36.44 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.518 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.8 169.06 9.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.903 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.459 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -152.96 177.38 10.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.657 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -141.23 112.05 7.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.631 ' HG2' ' HZ2' ' A' ' 41' ' ' LYS . 1.9 tt0 -75.0 91.66 2.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.465 HG13 ' HG2' ' A' ' 27' ' ' LYS . 32.0 m -107.5 129.94 60.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.29 157.29 32.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.452 ' HB3' HG22 ' A' ' 40' ' ' ILE . 3.2 t -140.52 20.82 2.37 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.434 1.084 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.409 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 78.42 177.33 48.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.426 1.078 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.2 m120 -83.98 162.97 20.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 0.818 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.51 -162.43 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.03 0.16 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.38 -0.47 20.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.53 -9.43 73.6 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.518 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.2 p-10 -77.08 152.35 82.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.98 129.76 12.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.426 1.751 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 31' ' ' SER . 50.0 mt -65.43 -85.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.631 ' HZ2' ' HG2' ' A' ' 28' ' ' GLU . 18.3 ttmm 72.98 129.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.719 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -131.8 67.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.992 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -36.81 140.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.719 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.5 mm-40 -83.61 -178.8 7.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.92 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.53 70.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.5 tt0 -63.77 67.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.977 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.5 pt -66.47 -171.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.615 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -124.68 8.34 8.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.944 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.635 ' OE1' HD12 ' A' ' 19' ' ' ILE . 10.2 mm100 38.84 105.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.597 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -115.03 -34.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.082 . . . . 0.0 109.358 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -141.34 160.02 40.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.929 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.463 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -143.64 67.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.64 ' CE1' HD22 ' A' ' 118' ' ' LEU . 29.6 m-85 -38.82 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.616 ' HB3' HG23 ' A' ' 18' ' ' VAL . 14.8 tptt -122.64 74.91 1.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.2 -163.73 11.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.738 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.97 -165.36 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.434 1.755 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.9 -34.22 10.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -73.42 -80.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.586 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.8 t70 150.54 163.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.755 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.1 mm -105.8 -80.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.482 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 76.66 -9.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.592 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -143.4 98.43 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.39 1.057 . . . . 0.0 111.056 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.979 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -103.65 170.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -123.28 150.15 43.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.792 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.8 t -163.9 -162.32 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.739 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -106.72 150.77 40.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.992 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.5 m 56.82 -171.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.41 55.79 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.564 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 55.29 97.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.572 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -105.84 -45.82 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.739 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 7.6 m -114.87 15.55 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.604 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.57 -150.13 5.44 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.89 HG23 HD12 ' A' ' 104' ' ' ILE . 87.0 t -118.94 0.81 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.262 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.564 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 4.8 p 31.47 84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.97 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.139 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.48 135.64 45.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.465 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -122.24 2.41 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.686 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.8 t 68.52 -55.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -57.6 -10.17 5.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.456 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.2 -16.97 5.06 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.34 -89.9 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 161.99 -67.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.907 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.546 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -164.79 166.18 20.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.139 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.5 p90 -152.08 151.71 31.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.789 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.77 2.5 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.103 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.66 99.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.041 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -123.53 105.99 10.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.667 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.53 160.1 26.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.724 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 9.1 tttt -36.66 -33.59 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 0.731 . . . . 0.0 109.304 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 87.86 -177.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 15.7 tp10 -134.22 -37.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.82 -136.33 3.56 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.65 132.76 54.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 76.79 1.33 71.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -169.9 131.93 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.755 ' CG ' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -131.71 -159.02 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.623 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -142.4 123.38 14.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.016 HD12 HG13 ' A' ' 86' ' ' ILE . 1.7 pt -137.65 147.26 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -144.72 167.15 23.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.404 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.604 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -60.22 -44.9 94.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -31.46 72.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 108.312 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -75.13 166.38 23.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.041 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.91 115.18 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.89 HD12 HG23 ' A' ' 74' ' ' VAL . 7.4 pt -162.53 133.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.667 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -151.64 156.82 34.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.604 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.1 10.03 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.409 1.742 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.418 ' CZ3' ' NH1' ' A' ' 20' ' ' ARG . 9.4 t90 73.12 -59.8 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.682 ' O ' HG23 ' A' ' 109' ' ' THR . 30.5 t70 -70.25 53.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 108' ' ' ASP . 3.9 p -159.63 -56.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.033 HD22 ' HB3' ' A' ' 114' ' ' GLN . 56.6 mt 9.77 -106.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.14 -42.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.585 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.75 -64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.379 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 8' ' ' PRO . 1.3 m -50.17 -26.25 4.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.452 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.033 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -83.21 -35.2 25.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.614 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.34 -42.33 72.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.436 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.06 -19.63 64.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.618 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.54 -12.61 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.64 HD22 ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -76.82 -23.1 52.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.3 p30 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.074 . . . . 0.0 109.336 179.968 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 36.0 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.8 p -65.61 110.04 3.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.468 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.5 Cg_endo -74.96 98.87 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.538 1.81 . . . . 0.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.742 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.2 p -125.66 -132.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.742 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 43.32 82.02 0.24 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.414 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -74.99 -1.72 11.59 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.492 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.6 OUTLIER -135.01 -44.52 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.698 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -60.58 -8.02 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.361 179.96 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.808 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.86 -34.25 30.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.866 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -91.82 5.58 49.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -115.02 -8.8 12.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 108.265 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.698 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -106.62 -39.94 5.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.369 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.56 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.05 171.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.22 15.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.672 HG23 ' HD3' ' A' ' 56' ' ' PRO . 11.1 p -166.0 88.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.032 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.76 117.51 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.909 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.677 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -143.48 125.12 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.679 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.5 mtp180 -77.5 40.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.889 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -60.91 176.0 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.454 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.618 ' HG2' HG22 ' A' ' 50' ' ' ILE . 13.7 ptmt -129.41 120.47 25.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.819 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.96 107.01 18.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.847 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.5 m -110.06 -36.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -112.48 170.02 8.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.043 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -152.32 -175.67 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.638 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.1 ttpt -149.82 114.51 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.533 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 4.7 tt0 -73.45 92.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.489 HG13 ' HG2' ' A' ' 27' ' ' LYS . 34.4 m -107.1 111.09 34.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.43 150.96 47.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.209 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.547 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.9 t -134.06 28.73 3.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.9 -176.98 28.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.6 m120 -85.07 165.69 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.3 t70 -96.87 -162.33 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.796 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.4 mp -80.23 -0.12 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -107.87 -0.94 21.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.63 -7.96 79.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.501 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 6.7 p-10 -78.4 152.07 78.29 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.0 128.46 11.5 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.612 1.849 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 31' ' ' SER . 39.0 mt -66.58 -89.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.533 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 19.7 ttmm 73.01 126.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.661 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -133.83 72.62 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -39.75 148.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.661 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 9.0 mm-40 -87.16 -176.85 5.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.974 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.89 68.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 16.2 tt0 -62.65 70.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.289 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.889 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.2 pt -65.97 -172.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -126.23 1.4 7.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.527 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.33 124.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.641 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -131.84 -30.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.515 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -153.55 168.22 26.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.221 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.521 ' HA ' HG22 ' A' ' 19' ' ' ILE . 1.3 ptt? -145.65 64.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.969 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -35.88 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.505 1.128 . . . . 0.0 110.928 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.669 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -128.08 66.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.44 -157.3 9.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.99 -177.06 3.2 Favored 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.562 1.822 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -90.08 -32.54 16.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.47 -79.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 151.49 170.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.619 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.2 mm -102.35 -71.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 73.53 -6.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.611 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -148.79 100.18 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.011 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -107.44 172.69 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.622 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 11.3 m-85 -119.57 156.39 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.974 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.1 t -176.67 -167.04 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.432 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.494 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -89.75 146.96 36.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' A' ' 68' ' ' SER . 18.3 Cg_endo -74.91 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.567 ' O ' ' O ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -47.55 -171.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.006 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.3 p -66.94 56.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 109.96 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.741 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 58.2 92.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.549 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.8 OUTLIER -107.38 -26.91 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.752 ' O ' HG22 ' A' ' 99' ' ' THR . 12.8 m -134.43 12.21 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.502 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -148.38 -152.58 5.73 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.515 1.134 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.942 HG23 HD12 ' A' ' 104' ' ' ILE . 73.3 t -113.09 -10.7 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.741 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 14.1 p 43.66 83.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.152 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -108.29 133.8 52.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.231 -179.937 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.506 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -120.82 -0.17 10.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.053 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 72.22 -56.07 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -53.95 -9.81 1.47 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.536 1.147 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.478 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -119.21 -28.41 2.0 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.478 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -114.89 -94.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.366 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.053 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.57 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.581 ' O ' ' O ' ' A' ' 106' ' ' PRO . 2.0 mp0 -146.48 153.84 40.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.152 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.4 p90 -137.22 153.03 50.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.726 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.9 3.4 30.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.145 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.06 103.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.05 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.92 108.72 10.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.513 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.51 176.3 23.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.7 -38.39 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.27 175.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.526 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.6 tp10 -134.88 7.69 3.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.22 -121.85 4.23 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.443 1.09 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.06 144.93 51.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 77.79 -3.8 59.29 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.501 1.125 . . . . 0.0 111.05 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.81 144.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.359 179.908 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.716 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.08 -169.1 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -127.44 130.11 48.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.622 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.011 HD13 HG21 ' A' ' 63' ' ' ILE . 12.0 pt -142.54 139.14 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -139.24 161.99 36.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 110.407 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.652 HD22 ' HA ' ' A' ' 72' ' ' CYS . 1.2 pt? -55.62 -44.86 77.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 1.6 t -63.67 -33.72 76.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 108.241 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.421 ' O ' HG12 ' A' ' 104' ' ' ILE . 3.6 t0 -73.15 166.34 23.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.05 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.41 117.41 11.92 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 111.002 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.942 HD12 HG23 ' A' ' 74' ' ' VAL . 4.7 pt -163.98 136.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.689 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -157.54 156.72 29.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.595 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -74.99 11.39 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.562 1.822 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.679 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.5 t90 71.15 -60.11 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 107.952 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.659 ' O ' HG23 ' A' ' 109' ' ' THR . 21.1 t0 -69.21 52.1 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.7 p -158.72 -56.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.011 HD22 ' HB3' ' A' ' 114' ' ' GLN . 47.5 mt 9.79 -106.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 146.61 -42.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.582 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.77 -65.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.41 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.507 ' N ' HG22 ' A' ' 112' ' ' THR . 23.6 m -48.93 -24.45 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.011 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -86.26 -35.12 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.603 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.56 -41.19 72.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.447 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.02 -19.02 63.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.225 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.55 -12.87 28.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.969 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 34.1 mt -70.7 -28.5 64.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.2 p30 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.24 -179.963 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 37.0 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.3 p -90.61 112.1 51.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 126.71 10.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.759 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.6 p -155.19 -133.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.116 . . . . 0.0 109.366 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.759 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.66 88.17 0.1 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.621 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -74.97 -25.77 11.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.608 HE21 ' CB ' ' A' ' 117' ' ' SER . 1.3 tt0 -117.52 -36.08 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 3.0 mt-30 -64.82 -7.95 13.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.817 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.68 -36.41 28.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.869 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -87.78 3.39 48.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -113.68 -14.71 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.24 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.08 -36.89 10.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.618 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.83 173.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.85 13.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.234 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.8 HG21 ' SD ' ' A' ' 96' ' ' MET . 7.2 p -166.29 86.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.99 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -98.93 118.77 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.606 HD11 ' HE2' ' A' ' 96' ' ' MET . 1.1 pt -143.58 126.71 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.656 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 10.9 ttp85 -78.58 40.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.891 HG21 HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.86 173.4 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.8 ptmt -125.69 120.51 30.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.82 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.95 105.05 16.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.842 ' CG1' HG11 ' A' ' 78' ' ' VAL . 3.3 m -109.38 -39.42 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.501 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -110.0 161.39 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -148.35 -174.06 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.5 ttpt -154.58 112.47 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.492 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.4 tt0 -74.69 91.88 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.553 HG13 ' HG2' ' A' ' 27' ' ' LYS . 16.6 m -100.06 82.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.46 141.75 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.0 t -127.13 30.91 5.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.1 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.77 -171.07 7.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.2 m-20 -83.79 164.8 19.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -95.31 -161.89 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.778 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.56 0.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -107.6 -1.29 21.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.1 -8.89 76.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -78.4 153.4 79.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.588 0.816 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.93 128.99 11.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 31' ' ' SER . 34.4 mt -72.1 -94.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 21.7 ttmt 72.46 122.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.631 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -126.45 68.7 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.037 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -38.98 144.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.633 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.5 mm-40 -86.94 177.65 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.957 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.44 67.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.501 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.0 tt0 -63.06 68.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.891 HD12 HG21 ' A' ' 21' ' ' THR . 3.3 pt -63.82 -174.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.526 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -124.64 1.05 8.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.526 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 53.56 119.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.951 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.529 HD11 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -129.16 -29.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -180.0 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.75 163.0 40.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.463 ' HA ' HG22 ' A' ' 19' ' ' ILE . 1.7 ptm -144.98 68.5 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.82 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 14.2 m-85 -39.87 -78.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -124.47 71.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.93 -161.14 10.53 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.579 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.04 -176.45 2.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.06 -33.57 15.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.572 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -75.89 -79.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.6 t70 149.41 169.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.605 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.1 mm -102.9 -73.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.557 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.93 -7.67 1.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.327 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.613 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.6 m-85 -147.47 95.38 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.933 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -105.9 167.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.631 ' CE1' ' OE1' ' A' ' 44' ' ' GLN . 5.4 m-85 -118.07 150.11 39.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.899 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.3 t -164.2 -168.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.449 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.761 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.91 148.36 36.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.037 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.04 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.44 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 1.6 m 56.95 -169.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.035 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.7 p -69.22 54.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.746 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 54.52 92.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.575 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -99.78 -41.43 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.376 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.803 ' O ' HG22 ' A' ' 99' ' ' THR . 7.9 m -121.19 13.33 11.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 108.305 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.746 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -154.17 -153.53 6.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.899 HG23 HD12 ' A' ' 104' ' ' ILE . 75.0 t -115.95 -2.67 10.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 74' ' ' VAL . 83.5 p 35.24 84.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.132 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.41 135.86 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.489 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -123.27 -0.04 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.357 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.024 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.45 -56.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.407 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -52.55 -11.7 1.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.462 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.13 -27.74 2.38 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -114.3 -93.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.024 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.14 -82.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.553 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.6 OUTLIER -148.66 156.09 41.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.938 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.132 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.1 p90 -141.07 152.98 45.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.77 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.34 1.03 39.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.124 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.46 100.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.003 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.77 106.77 9.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.598 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.76 165.1 26.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.667 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 3.3 tttm -39.67 -29.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 82.74 -179.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.535 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 15.1 tp10 -134.98 -37.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 171.44 -144.99 8.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.597 1.186 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.86 133.4 48.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.774 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 83.17 -6.59 70.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.075 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -167.72 143.91 4.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.247 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.8 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -139.93 -158.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.04 124.84 21.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.999 HD12 HG13 ' A' ' 86' ' ' ILE . 2.8 pt -139.86 141.27 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.803 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -141.36 164.7 29.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.428 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.551 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.6 OUTLIER -58.64 -43.45 89.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.502 ' H ' HD23 ' A' ' 100' ' ' LEU . 1.7 t -63.73 -32.99 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 108.383 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -75.73 166.9 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.003 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.07 116.76 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.899 HD12 HG23 ' A' ' 74' ' ' VAL . 6.2 pt -163.25 133.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.628 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.7 156.71 31.01 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.683 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.06 11.68 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.406 1.74 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.656 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 4.6 t90 71.9 -60.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 108.01 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 109' ' ' THR . 12.4 t0 -70.37 51.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.683 ' OG1' ' HD2' ' A' ' 106' ' ' PRO . 2.1 p -158.59 -55.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.891 HD22 ' HB3' ' A' ' 114' ' ' GLN . 60.7 mt 11.77 -105.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.81 -42.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.584 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.09 -63.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.527 HG23 ' HE2' ' A' ' 116' ' ' LYS . 1.4 m -54.45 -24.01 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.891 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -80.43 -36.34 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.955 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.76 ' HA ' HD23 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -68.74 -47.3 66.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.582 ' HE3' ' NE2' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -63.27 -10.86 17.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.608 ' CB ' HE21 ' A' ' 9' ' ' GLN . 0.2 OUTLIER -108.05 -14.12 14.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.82 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -96.31 -13.85 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 101' ' ' CYS . 1.5 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.1 p -128.88 107.95 18.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.957 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 121.75 6.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.556 1.819 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.751 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -149.92 -134.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.751 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 31.29 92.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.536 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.06 -28.55 8.98 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.572 1.827 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.496 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.3 OUTLIER -107.03 -33.29 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.514 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -72.98 -4.91 35.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.771 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.95 -34.44 24.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.905 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.5 m-85 -91.3 -5.19 55.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -102.27 -10.56 19.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 108.342 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -103.64 -41.24 6.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.601 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.26 170.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.72 14.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.787 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 9.0 p -166.27 90.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.034 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.08 118.86 48.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.657 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -144.53 123.87 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.677 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.2 mtp180 -76.24 40.12 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.945 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.8 t -62.63 172.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.494 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 14.5 ptmt -126.41 120.58 30.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.857 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.16 107.08 18.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.793 HG12 HG11 ' A' ' 78' ' ' VAL . 2.6 m -110.18 -37.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.525 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -114.11 164.95 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -148.5 -175.27 4.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.237 -179.922 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.7 ttpt -152.22 112.1 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.484 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -75.02 88.74 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.555 HG23 ' HG3' ' A' ' 42' ' ' ARG . 15.8 m -95.24 79.62 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -44.04 140.63 1.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.521 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.7 t -126.84 31.25 5.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.72 -169.58 4.25 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.542 1.151 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.3 m-80 -84.07 163.67 19.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 0.774 . . . . 0.0 109.358 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.2 t70 -94.44 -161.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.788 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.5 mp -80.69 1.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.23 -1.64 20.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 111.061 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.84 -8.72 76.88 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.543 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.3 p-10 -79.56 153.32 76.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.41 0.712 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.02 130.47 13.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 41' ' ' LYS . 35.8 mt -75.01 -93.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 23.2 ttmt 71.2 122.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.637 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.6 ptt180 -128.0 74.38 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.987 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -44.63 142.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.649 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.4 mm-40 -85.38 -178.65 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 1.012 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.18 67.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.525 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.1 tt0 -62.28 68.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.328 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.945 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.3 pt -67.07 -175.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.494 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -119.63 -2.71 10.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.522 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.4 mm100 51.75 108.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.465 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -116.24 -35.28 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.515 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -144.81 161.12 40.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -140.35 67.57 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.928 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.845 ' CE2' HD22 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -35.32 -80.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.625 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -127.35 72.33 1.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.24 -163.12 12.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.743 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.03 -172.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -94.43 -33.3 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.653 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.03 -79.17 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.653 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.9 t70 148.35 164.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.693 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -106.18 -78.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.509 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.0 OUTLIER 72.67 -7.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.343 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.577 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -144.29 94.12 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.11 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -99.22 171.37 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.659 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.17 155.49 38.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 1.012 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.5 t -170.94 -161.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.401 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.686 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -108.93 151.5 41.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.987 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -161.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.06 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.3 m 58.15 -172.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.949 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.7 p -68.82 56.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.956 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.654 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 54.99 104.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.701 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -112.25 -44.04 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.927 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.686 ' H ' ' HB3' ' A' ' 66' ' ' ALA . 9.6 m -116.88 12.33 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.514 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -151.76 -156.64 7.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.882 HG23 HD12 ' A' ' 104' ' ' ILE . 96.2 t -111.49 2.04 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.359 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.654 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 9.7 p 31.57 88.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.955 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -109.77 130.57 55.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.915 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.484 ' OD2' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -122.26 2.53 9.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.047 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.5 t 70.82 -55.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.94 -12.34 1.72 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.477 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.65 -30.85 1.58 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.52 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -110.66 -95.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 0.728 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.047 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.45 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -149.08 159.27 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.155 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.4 p90 -146.37 153.35 40.41 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.76 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.58 3.5 36.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.155 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.54 101.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.069 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.05 108.9 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.28 -178.05 18.77 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -48.91 -38.74 23.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 0.716 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.787 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 84.03 173.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.535 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 6.6 tp10 -130.16 1.31 4.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.73 -119.66 2.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.65 142.0 49.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.494 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 80.58 -4.39 69.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.044 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.84 140.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.752 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -144.16 -170.48 3.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -127.56 129.71 47.8 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.528 1.143 . . . . 0.0 109.574 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.11 HD13 HG21 ' A' ' 63' ' ' ILE . 6.3 pt -141.31 134.02 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.602 ' O ' HD11 ' A' ' 104' ' ' ILE . 48.6 p -130.26 164.12 25.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -64.22 -24.37 67.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -80.08 -30.53 39.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -78.33 171.18 15.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.069 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -71.56 120.58 17.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.97 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.882 HD12 HG23 ' A' ' 74' ' ' VAL . 5.5 pt -165.68 138.9 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.667 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -158.59 157.89 29.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.582 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.98 9.04 2.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.526 1.803 . . . . 0.0 110.978 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.677 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.5 t90 73.36 -58.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 108.021 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.65 ' O ' HG23 ' A' ' 109' ' ' THR . 8.1 t70 -69.56 51.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.678 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.4 p -159.19 -55.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.403 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.979 HD22 ' HB3' ' A' ' 114' ' ' GLN . 64.0 mt 11.55 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 147.36 -40.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.95 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.607 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.21 -66.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.393 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.496 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 1.3 m -49.59 -26.63 3.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.979 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -82.25 -29.28 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.855 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -77.13 -42.86 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.454 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -61.54 -21.66 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.683 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.34 -10.22 47.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.992 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.855 HD12 ' HA ' ' A' ' 115' ' ' LYS . 49.0 mt -75.26 -27.22 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.387 1.054 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.998 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.609 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.6 p -147.44 122.33 5.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.061 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.441 ' CB ' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.06 78.59 2.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.716 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.1 p -90.05 -132.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.716 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 33.08 91.98 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.557 -179.94 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.613 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -75.04 6.53 3.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.483 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -141.74 -43.85 0.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.522 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.53 -7.23 9.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.805 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.13 -32.44 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.9 m-85 -91.06 -5.43 55.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.63 -8.79 20.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 108.376 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.453 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -104.08 -41.64 5.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.623 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.35 169.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.29 11.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.624 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 7.7 p -165.89 93.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.998 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.72 119.11 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.619 HG13 HG22 ' A' ' 21' ' ' THR . 0.6 OUTLIER -142.14 124.76 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.623 ' HD2' HD11 ' A' ' 50' ' ' ILE . 1.2 tmm_? -79.19 40.98 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.915 HG21 HD12 ' A' ' 47' ' ' ILE . 1.3 t -64.5 173.66 2.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.508 ' HG2' HG22 ' A' ' 50' ' ' ILE . 17.0 ptmt -126.76 119.62 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.875 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.69 106.41 18.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.371 1.045 . . . . 0.0 109.233 -179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.707 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.9 m -108.92 -35.09 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -116.32 166.37 12.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.476 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.9 mp0 -151.78 178.47 9.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.679 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.1 ttpt -143.44 112.63 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.614 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.8 tt0 -74.24 96.05 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.495 HG13 ' HG2' ' A' ' 27' ' ' LYS . 33.3 m -112.56 113.66 44.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.428 ' OD2' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -62.73 155.43 26.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.8 t -138.22 23.73 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' ILE . . . 74.14 -179.57 42.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.14 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.514 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.1 m-20 -84.39 164.72 18.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.9 t0 -97.09 -162.26 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.777 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -79.82 -0.51 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.38 -0.91 22.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.34 -8.77 75.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.3 p-10 -78.21 153.47 79.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.98 129.04 11.99 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.552 1.817 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 31' ' ' SER . 49.3 mt -65.49 -85.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HG2' ' HG3' ' A' ' 67' ' ' PRO . 19.8 ttmm 73.04 125.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.616 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -130.02 65.73 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.04 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -36.9 144.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.679 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.0 mm-40 -86.03 -179.58 6.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 1.006 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.29 68.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.092 179.916 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.9 tt0 -63.81 67.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.258 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.971 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.5 pt -64.83 -170.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.7 ttpt -126.78 0.39 6.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.562 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 50.17 114.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.938 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.623 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -123.06 -31.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.946 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -146.19 166.01 27.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.251 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.525 ' O ' ' CE ' ' A' ' 52' ' ' MET . 1.1 ttp -145.53 72.15 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.025 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -43.27 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.648 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -127.16 74.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.213 -179.955 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -130.62 -164.82 11.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.599 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -74.94 177.62 8.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.29 -35.85 63.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.94 -87.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.0 t70 151.68 166.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.019 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.4 OUTLIER -119.99 76.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.483 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -70.33 -5.52 28.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 6.7 m-85 -135.01 92.07 2.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.409 1.068 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.938 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -96.13 167.76 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.58 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 20.0 m-85 -117.87 145.86 44.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.858 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.7 t -162.72 -170.8 2.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.775 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -101.96 149.34 36.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.04 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.98 -158.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.46 -160.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.69 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 34.9 t -81.45 30.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.971 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.716 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 85.9 90.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.541 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.6 OUTLIER -98.68 -40.95 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.249 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.775 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 94.7 m -125.23 18.56 8.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.319 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.716 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -156.6 -159.39 9.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.815 HG23 ' CD1' ' A' ' 104' ' ' ILE . 55.6 t -111.87 -1.34 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.592 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 0.0 OUTLIER 33.11 87.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.041 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -106.11 137.32 44.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.489 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -123.67 0.22 8.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.707 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.7 t 69.45 -57.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -48.51 -15.46 0.47 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.479 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -114.32 -31.66 2.16 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -105.83 -93.31 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 163.0 -60.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.509 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -168.09 167.47 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.132 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -153.36 152.87 31.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.765 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.83 2.1 39.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.132 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 11.31 100.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 0.0 109.288 -179.917 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.067 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.38 110.65 12.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.401 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.08 170.74 26.43 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.15 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -41.89 -30.89 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 0.758 . . . . 0.0 109.239 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.68 -179.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.534 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.5 tp10 -139.06 -1.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 136.35 -125.0 3.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -126.52 146.96 49.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.435 ' H ' HD13 ' A' ' 60' ' ' ILE . . . 72.24 -1.37 34.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.839 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -178.39 137.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 1.019 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -132.98 -160.13 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.421 ' CG ' ' OE1' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -133.27 124.11 26.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.569 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.054 HD12 HG13 ' A' ' 86' ' ' ILE . 1.7 pt -139.35 133.42 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.63 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.8 p -133.29 169.02 17.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.609 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -66.24 -26.06 67.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.67 -22.69 37.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.415 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.9 t0 -87.24 169.63 12.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.231 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.067 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.48 118.89 13.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.864 HG23 ' O ' ' A' ' 103' ' ' PHE . 6.6 pt -165.66 134.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.652 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.62 157.16 32.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.969 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.579 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.05 8.27 2.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.804 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.613 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.8 t90 74.31 -59.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 0.0 107.954 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.632 ' O ' HG23 ' A' ' 109' ' ' THR . 23.9 t70 -68.29 52.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.222 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 8.2 p -158.83 -53.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.013 HD22 ' HB3' ' A' ' 114' ' ' GLN . 58.1 mt 6.25 -107.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.27 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 110.0 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.61 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.15 -65.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 110.412 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 8' ' ' PRO . 3.4 m -48.41 -26.12 1.94 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.522 1.138 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.013 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -84.55 -32.32 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.705 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -72.69 -40.73 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.439 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.38 -19.69 64.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.657 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.65 -5.04 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 109.941 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.025 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 46.4 mt -80.35 -27.08 38.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 16.3 p30 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.965 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 100' ' ' LEU . 1.7 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.5 p -129.61 107.98 17.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 130.05 12.88 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.423 1.749 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.785 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.8 p -154.51 -134.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.785 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 33.3 88.52 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.684 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 4.02 5.08 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.447 1.762 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.519 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -141.29 -44.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 2.9 mt-30 -63.64 -5.74 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.09 -36.55 24.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.873 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -87.43 -6.29 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.15 -17.76 16.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -93.47 -41.84 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.539 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.94 172.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -152.08 16.03 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.939 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 3.1 p -166.39 88.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.107 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -99.76 117.11 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.587 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -141.46 125.52 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.567 ' HD3' ' CE3' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -77.09 40.18 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.887 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.1 t -62.98 163.88 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.1 ptmt -119.33 120.42 36.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.835 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.85 104.91 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.874 HG12 HG11 ' A' ' 78' ' ' VAL . 2.6 m -107.76 -37.11 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -114.14 165.25 12.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.0 mp0 -148.58 -176.08 5.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.667 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.9 ttpt -151.86 114.09 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.498 ' CG ' ' HE3' ' A' ' 41' ' ' LYS . 8.7 tt0 -74.89 91.24 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.566 HG13 ' HG2' ' A' ' 27' ' ' LYS . 15.9 m -100.67 112.2 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.248 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.558 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -56.83 152.88 11.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.649 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -140.65 19.32 2.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.573 1.171 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.23 -178.65 37.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m-20 -83.98 163.93 19.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -94.98 -160.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.85 0.69 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.99 0.1 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.03 -8.58 75.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.4 p-10 -78.89 155.52 77.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.08 130.01 12.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.649 HG21 ' OG ' ' A' ' 31' ' ' SER . 50.2 mt -67.37 -79.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.6 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 13.1 tppt? 68.29 125.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.628 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.81 65.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.001 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -36.83 146.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.677 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 9.1 mm-40 -89.86 -179.59 5.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.923 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.51 69.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.521 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.0 tt0 -63.78 68.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.887 HD12 ' CG2' ' A' ' 21' ' ' THR . 1.6 pt -65.45 -170.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.575 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.3 ttpt -127.51 4.27 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.575 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER 49.38 114.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.965 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.463 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -124.44 -33.44 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.2 tttt -144.76 162.85 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.511 ' HA ' HG22 ' A' ' 19' ' ' ILE . 9.7 ptm -146.89 63.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.66 ' CE1' HD22 ' A' ' 118' ' ' LEU . 51.9 m-85 -40.84 -70.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.781 ' HB3' HG23 ' A' ' 18' ' ' VAL . 47.2 tptt -130.31 161.35 31.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 128.08 -135.82 8.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.01 -166.9 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.85 -31.25 7.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.8 -80.19 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.3 t70 158.86 169.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.653 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.4 mm -100.07 -72.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.589 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.71 -10.38 1.19 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -145.4 97.11 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.024 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.11 169.46 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.677 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.6 m-85 -123.01 154.89 37.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.797 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.6 t -168.59 -161.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.758 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -106.79 152.75 40.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.001 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.06 -159.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.768 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.66 -161.17 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.979 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.725 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 35.3 p -81.15 28.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 88.42 97.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.509 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -108.24 -38.06 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.758 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 33.4 m -124.91 19.17 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.336 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.566 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -159.19 -158.43 9.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.939 HG23 HD12 ' A' ' 104' ' ' ILE . 82.6 t -110.64 1.12 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.664 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 30.76 84.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.955 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.154 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.06 135.01 46.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.493 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -123.79 0.17 8.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.066 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.5 t 71.53 -53.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.62 -11.72 2.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.442 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.82 -29.7 1.79 Allowed Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.526 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -112.65 -94.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.066 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.18 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.562 ' O ' ' O ' ' A' ' 106' ' ' PRO . 3.0 mp0 -146.78 158.76 43.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.154 ' CE2' HD13 ' A' ' 76' ' ' LEU . 3.2 p90 -144.85 151.4 38.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.882 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.15 3.38 27.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.392 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.147 HD13 ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.61 100.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.107 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -129.32 104.24 7.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -159.37 168.19 35.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -38.55 97.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.939 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -64.5 174.38 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.229 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.519 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.4 tp10 -126.11 12.78 7.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.01 -116.88 2.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.91 139.34 39.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 80.79 1.58 89.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.653 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.43 145.43 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 0.8 . . . . 0.0 109.371 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.684 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -151.98 -170.44 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 -179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.07 131.74 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.61 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.024 HD13 HG21 ' A' ' 63' ' ' ILE . 6.0 pt -141.82 149.36 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.642 ' O ' HD11 ' A' ' 104' ' ' ILE . 2.0 p -147.07 162.96 37.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.526 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -62.66 -28.28 69.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -30.98 57.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.13 171.14 15.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.029 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.75 118.74 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.939 HD12 HG23 ' A' ' 74' ' ' VAL . 5.9 pt -164.88 134.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.26 157.63 31.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.562 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.6 Cg_endo -74.92 6.48 3.33 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.614 ' HD1' HD12 ' A' ' 85' ' ' LEU . 3.4 t90 75.92 -57.79 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.573 ' O ' HG23 ' A' ' 109' ' ' THR . 17.0 t70 -68.61 50.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.693 ' O ' ' C ' ' A' ' 110' ' ' LEU . 15.3 p -158.28 -55.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.019 HD22 ' HB3' ' A' ' 114' ' ' GLN . 52.2 mt 9.02 -106.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.49 -43.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.565 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 162.16 -63.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.519 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 25.5 m -51.63 -26.82 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.425 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.019 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -81.9 -34.28 30.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.601 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -71.03 -43.24 68.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.3 -19.95 63.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.627 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.96 -7.62 39.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.66 HD22 ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -81.18 -24.77 37.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.7 p30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -103.59 107.47 56.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 119.3 5.6 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.811 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.722 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -144.48 -133.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.722 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.46 86.42 0.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.626 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.459 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.6 Cg_endo -74.93 -0.66 10.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.496 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 5.8 tp-100 -137.09 -43.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.0 mt-30 -63.94 -5.61 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.814 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.2 -35.25 23.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.918 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -89.02 -0.22 57.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.0 -15.94 14.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.05 -38.19 10.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.572 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.05 172.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.09 15.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.697 HG23 ' HD3' ' A' ' 56' ' ' PRO . 12.2 p -166.74 88.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.018 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -100.32 117.35 45.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.632 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -143.12 127.43 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.59 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 0.5 OUTLIER -78.0 42.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.974 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.6 t -66.2 163.1 18.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.483 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 14.6 ptmt -118.51 122.41 42.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.828 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.12 104.02 16.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.929 HG12 HG11 ' A' ' 78' ' ' VAL . 3.5 m -107.27 -35.92 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.524 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -114.51 161.5 17.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -146.01 -172.52 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.943 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.646 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.7 ttpt -156.85 119.75 4.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.478 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 3.4 tt0 -79.84 94.76 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.712 HG23 ' CD ' ' A' ' 42' ' ' ARG . 10.7 m -102.79 84.64 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.72 150.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.529 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -136.89 23.22 3.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.23 -170.79 25.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.1 m-80 -84.14 164.0 19.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.769 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.6 t70 -95.28 -161.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.774 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.47 0.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.46 -1.58 21.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.76 -8.83 76.37 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.534 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.4 p-10 -79.63 154.04 76.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.98 130.0 12.88 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.529 HG21 ' OG ' ' A' ' 31' ' ' SER . 61.0 mt -72.82 -90.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 18.7 ttmt 66.72 123.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.712 ' CD ' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.06 70.48 1.46 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.946 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -37.79 154.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.646 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mm-40 -94.72 -179.81 5.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 1.056 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.25 68.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.524 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.2 tt0 -63.13 68.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.974 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -67.58 -174.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.598 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -122.39 6.92 9.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.215 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.9 mm100 41.49 106.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -114.71 -35.69 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.444 ' O ' ' HB ' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -141.07 159.59 41.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.446 ' HA ' HG22 ' A' ' 19' ' ' ILE . 9.8 ptm -142.82 65.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.703 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 20.3 m-85 -37.63 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -121.87 76.55 1.29 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.39 -165.95 12.0 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.697 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.97 -171.1 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.759 . . . . 0.0 111.052 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -95.1 -33.41 12.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -72.41 -77.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.616 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.5 t70 145.35 164.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.733 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -105.31 -79.26 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.49 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 73.79 -10.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -139.86 94.73 2.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.054 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -102.66 168.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.63 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.9 m-85 -122.2 158.82 28.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 1.056 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.9 t -174.48 -162.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.467 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.09 153.43 38.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.946 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.09 -175.77 2.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.3 -166.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.021 -179.933 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.768 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 8.1 p -59.85 -33.88 72.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 149.68 111.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.371 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.594 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -117.4 -39.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.688 ' HA ' HD22 ' A' ' 100' ' ' LEU . 13.3 m -126.01 16.4 7.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 108.289 179.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.576 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -157.17 -154.72 7.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.082 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.846 HG23 HD12 ' A' ' 104' ' ' ILE . 90.6 t -115.68 -1.79 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 32.75 86.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.031 179.959 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.037 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -104.16 130.61 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.933 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.57 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -117.09 -4.41 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.069 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 74.74 -50.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 179.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.28 -13.78 1.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.551 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.02 -35.79 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.551 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -103.61 -98.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.358 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.069 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.78 -81.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.555 ' O ' ' O ' ' A' ' 106' ' ' PRO . 7.2 mp0 -147.56 153.26 39.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.418 1.074 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.141 ' CD1' HD13 ' A' ' 86' ' ' ILE . 3.2 p90 -137.98 153.22 49.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.75 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.16 4.77 25.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.141 HD13 ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 8.86 102.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.066 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.94 108.09 10.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.539 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.16 174.37 23.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.63 -37.39 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 83.86 175.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.539 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.0 tp10 -133.9 4.62 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.83 -122.86 3.87 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.494 1.121 . . . . 0.0 111.062 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.02 143.45 50.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 0.806 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.22 -3.38 62.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.576 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.95 143.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 0.798 . . . . 0.0 109.295 -179.941 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.733 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -146.83 -168.93 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -129.2 127.6 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.614 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.054 HD13 HG21 ' A' ' 63' ' ' ILE . 4.6 pt -140.45 136.75 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.538 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.1 p -135.44 166.35 23.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.688 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -59.23 -43.23 92.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -64.57 -32.5 74.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.2 t0 -73.82 166.53 23.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.066 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.93 118.58 13.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.846 HD12 HG23 ' A' ' 74' ' ' VAL . 6.5 pt -164.15 136.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.579 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -157.5 156.71 29.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.592 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.9 10.92 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.553 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 10.2 t90 71.67 -59.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.667 ' O ' HG23 ' A' ' 109' ' ' THR . 32.8 t0 -69.84 52.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.678 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 p -159.15 -55.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.02 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.2 mt 9.4 -107.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.657 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 145.86 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.61 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.86 -63.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.55 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.5 m -49.97 -22.23 1.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.02 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -88.79 -38.51 14.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.616 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -66.28 -40.12 89.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.946 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.55 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.94 -14.75 37.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.938 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.606 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.1 -11.43 22.89 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.952 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.703 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -85.73 -0.19 54.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.972 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.454 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -100.2 107.71 48.78 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -74.98 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.425 1.75 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.72 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.7 p -141.87 -134.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.72 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.77 95.91 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.589 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.484 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -75.01 -30.48 7.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.55 1.816 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -115.12 -34.56 4.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.49 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -62.17 -10.92 11.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.775 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.21 -36.3 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -88.62 -2.53 58.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.0 m -105.16 -12.81 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 108.336 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.49 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -98.58 -43.79 6.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.607 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.21 171.25 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' GLY . 19.4 m-20 -148.68 14.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.608 1.192 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.793 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 2.5 p -165.6 88.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.986 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -98.59 117.68 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.925 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.554 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -140.63 126.65 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.612 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 12.3 mtp180 -77.52 35.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.881 HG21 HD12 ' A' ' 47' ' ' ILE . 2.1 t -56.52 173.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.576 ' HE2' HG11 ' A' ' 78' ' ' VAL . 17.0 ptmt -129.05 118.05 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.907 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.48 100.07 12.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.526 HG13 ' HE2' ' A' ' 22' ' ' LYS . 2.5 m -101.78 -35.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.478 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.4 t -116.35 162.99 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.947 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -148.31 -174.45 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.4 ttpt -153.5 113.11 3.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.486 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.3 tt0 -74.23 94.99 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.547 HG13 ' HG2' ' A' ' 27' ' ' LYS . 15.3 m -103.45 80.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.89 139.31 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.526 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.8 t -124.6 32.63 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.34 -170.13 4.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.5 m-20 -84.17 165.83 18.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -95.72 -162.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.786 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -79.82 1.06 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -108.25 -1.59 20.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.25 -8.85 77.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -77.97 153.26 80.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.96 129.3 12.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 0.0 111.027 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 31' ' ' SER . 36.5 mt -73.64 -95.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.512 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 17.5 ttmt 72.98 120.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.312 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.624 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -125.94 66.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.698 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.3 mp -37.69 146.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.647 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.8 mm-40 -88.03 179.15 6.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.914 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.871 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.34 69.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.044 -179.933 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.0 tt0 -64.56 66.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.937 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.99 HD11 ' O ' ' A' ' 60' ' ' ILE . 2.2 pt -63.76 -172.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.48 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -124.98 -1.61 7.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.48 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.74 119.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.343 -179.921 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.558 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -126.86 -31.18 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.36 168.26 26.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.51 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -146.24 67.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.103 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -36.47 -78.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.753 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -125.18 57.72 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.57 -169.07 19.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.637 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.05 -176.12 2.72 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.409 1.742 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.02 -37.69 58.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.589 1.181 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -77.97 -85.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 0.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.8 t70 152.4 168.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.99 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -119.48 73.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -68.8 -5.73 22.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 3.4 m-85 -132.86 91.99 2.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.993 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -98.1 166.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.7 m-85 -121.57 146.19 47.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.093 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.746 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.1 t -161.82 -168.17 1.87 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.701 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.85 148.82 37.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.698 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -75.04 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.566 1.824 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.471 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.9 OUTLIER 59.98 -171.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.7 p -69.74 55.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.711 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 55.29 92.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -98.81 -40.53 9.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.787 ' O ' HG22 ' A' ' 99' ' ' THR . 39.4 m -124.56 17.95 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 108.322 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.711 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -157.27 -153.64 6.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.93 HG23 HD12 ' A' ' 104' ' ' ILE . 89.7 t -116.22 -0.94 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 0.0 109.213 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.593 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 28.07 81.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.002 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.43 133.12 49.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.514 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -108.63 -6.98 15.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 82' ' ' LYS . 5.7 t 69.28 -56.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.504 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -49.18 -12.36 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -119.48 -23.93 3.02 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.514 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -110.66 -90.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.228 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.66 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 169.69 -88.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.547 ' O ' ' O ' ' A' ' 106' ' ' PRO . 6.7 mp0 -151.89 145.06 24.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.14 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -122.18 155.26 36.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.722 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -85.35 3.32 40.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 -179.884 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.14 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.21 104.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.068 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.42 113.38 16.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.61 175.7 22.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.117 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.573 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -57.66 -17.45 14.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.787 . . . . 0.0 109.344 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.793 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 75.92 176.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.218 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -121.71 -42.08 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 155.69 53.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.436 1.085 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.553 ' C ' ' H ' ' A' ' 95' ' ' LYS . 3.6 m-20 56.87 154.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 0.727 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.02 -10.82 0.74 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.766 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -175.49 143.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.921 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -144.89 -172.84 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.933 -179.93 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -124.39 128.96 49.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.532 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.993 HD13 HG21 ' A' ' 63' ' ' ILE . 4.4 pt -140.42 136.42 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -137.72 164.03 29.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.568 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -58.44 -43.71 88.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -31.86 73.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.093 . . . . 0.0 108.307 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.475 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.8 t0 -75.63 175.49 8.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.068 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -77.94 116.51 18.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.93 HD12 HG23 ' A' ' 74' ' ' VAL . 6.2 pt -164.44 133.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.664 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.24 156.82 32.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.604 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.02 11.24 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.456 1.766 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.603 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.6 t90 71.08 -59.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.022 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.654 ' O ' HG23 ' A' ' 109' ' ' THR . 30.6 t0 -69.56 52.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.675 ' O ' ' C ' ' A' ' 110' ' ' LEU . 3.4 p -158.69 -55.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.042 HD22 ' HB3' ' A' ' 114' ' ' GLN . 55.7 mt 10.66 -107.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 147.05 -41.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.618 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.06 -58.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.583 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 37.2 m -54.6 -23.88 18.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.042 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -86.14 -36.19 19.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.959 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.589 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -68.11 -39.07 82.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.947 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.583 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 2.0 pttt -63.93 -16.48 61.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.707 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.48 -5.83 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.988 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.103 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 29.1 mt -76.65 -26.92 55.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.7 p30 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.999 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.8 p -108.03 108.21 61.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.88 126.06 9.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.811 . . . . 0.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.751 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.3 p -152.57 -134.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.751 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 37.39 87.03 0.12 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.57 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 0.6 8.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.497 HE22 ' CD ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -135.68 -44.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.491 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -62.11 -7.6 4.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.917 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.807 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.73 -33.9 27.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.207 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.857 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 m-85 -92.39 7.17 44.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -116.66 -9.35 11.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.506 1.129 . . . . 0.0 108.342 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.491 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.6 OUTLIER -104.11 -40.26 6.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.641 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.31 169.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -145.02 11.59 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.082 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 88' ' ' GLY . 6.7 p -164.72 92.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.983 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.71 116.19 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.54 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -141.46 127.02 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.612 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 16.4 mtp180 -77.19 36.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.847 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.1 t -58.1 169.11 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.346 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HG2' HG22 ' A' ' 50' ' ' ILE . 15.3 ptmt -125.41 120.47 31.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.829 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.44 108.46 19.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.787 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -110.53 -34.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.468 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.6 t -119.76 162.73 18.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 4.1 mp0 -145.74 -173.98 4.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.67 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.6 ttpt -153.3 116.52 4.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.48 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 9.2 tt0 -76.8 92.53 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.528 HG13 ' HG2' ' A' ' 27' ' ' LYS . 23.2 m -103.42 112.17 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -59.65 149.74 29.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.479 ' OG ' HG21 ' A' ' 40' ' ' ILE . 2.1 t -134.53 16.29 3.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.39 175.24 36.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.436 1.085 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.549 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -82.77 161.29 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -95.17 -162.73 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.782 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -78.77 -1.39 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.515 ' CD1' ' OD1' ' A' ' 38' ' ' ASN . 27.0 t80 -98.63 -17.36 18.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.65 -8.65 56.62 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.566 1.166 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.549 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -85.01 154.43 60.68 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.528 0.781 . . . . 0.0 109.373 179.972 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.99 130.25 13.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.479 HG21 ' OG ' ' A' ' 31' ' ' SER . 92.3 mt -64.14 -77.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.628 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.5 tppt? 69.0 123.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 179.934 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.639 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -129.36 67.65 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.93 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.97 148.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.67 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.7 mm-40 -90.28 179.36 5.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 1.06 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.4 OUTLIER -136.32 69.25 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 13.7 tt0 -64.37 68.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.916 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.6 pt -64.24 -169.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.576 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.5 ttpt -127.8 5.26 6.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.576 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 48.32 113.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.502 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -122.06 -30.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.968 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.449 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.28 167.14 29.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.459 ' HA ' HG22 ' A' ' 19' ' ' ILE . 2.4 ptt? -146.23 68.37 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.057 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -37.76 -80.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.94 -179.883 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.628 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -126.18 72.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -125.96 -164.14 11.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.459 1.099 . . . . 0.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.617 ' HG3' HD11 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 -174.44 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.771 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.57 -38.18 40.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 1.5 tpmt? -77.24 -85.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.5 t70 154.12 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.368 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.989 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.6 OUTLIER -119.83 71.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -68.58 -5.98 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 3.1 m-85 -131.8 90.81 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.988 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -97.68 166.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.61 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.1 m-85 -121.01 152.47 38.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 1.06 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.9 t -166.56 -162.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.568 1.167 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.825 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -104.88 152.7 39.61 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.93 ' HB3' HD13 ' A' ' 43' ' ' ILE . 17.9 Cg_endo -75.11 -161.19 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.68 -160.3 0.3 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.718 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 87.3 p -83.24 30.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 87.31 95.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.264 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.545 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -107.59 -38.39 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.825 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 14.7 m -122.88 14.22 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.54 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.65 -153.12 6.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.874 HG23 HD12 ' A' ' 104' ' ' ILE . 74.2 t -115.67 0.31 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.744 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.587 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 5.0 p 33.07 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.954 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.979 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -110.78 134.27 52.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 1.1 p30 -126.09 2.62 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.024 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.5 t 69.98 -55.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -53.24 -11.85 1.78 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -119.75 -30.73 1.45 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -110.33 -93.79 0.43 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.024 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 162.74 -81.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.519 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -149.01 160.34 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.125 ' CG ' HD13 ' A' ' 86' ' ' ILE . 3.4 p90 -148.39 152.14 36.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.748 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.35 2.16 33.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.125 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.91 101.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 -179.928 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.06 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.52 107.71 10.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.222 -179.924 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.656 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -158.17 154.52 25.6 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.1 OUTLIER -37.37 97.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 109.364 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.514 ' HA ' ' CB ' ' A' ' 96' ' ' MET . . . -50.47 178.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 25.1 tt0 -115.04 -34.53 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 151.56 49.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.517 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 13.0 m-20 57.81 149.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 0.782 . . . . 0.0 109.23 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.613 ' H ' HD13 ' A' ' 60' ' ' ILE . . . 70.5 -5.62 6.98 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.815 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -178.4 141.54 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 0.713 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.989 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -146.75 -172.34 3.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 111.037 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.63 128.0 48.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.034 HD12 HG13 ' A' ' 86' ' ' ILE . 3.2 pt -139.83 134.82 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -135.13 164.87 26.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.412 1.07 . . . . 0.0 110.409 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.631 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -57.87 -43.15 85.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -32.75 74.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.441 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.2 t70 -74.0 168.07 20.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.376 179.915 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.06 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -71.79 118.2 14.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.967 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.874 HD12 HG23 ' A' ' 74' ' ' VAL . 6.0 pt -164.63 135.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.669 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.4 156.54 31.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.589 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.93 9.62 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.428 1.752 . . . . 0.0 111.054 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.567 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 12.0 t90 72.96 -59.56 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 108.028 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 109' ' ' THR . 33.0 t70 -69.19 52.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.236 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.681 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.9 p -159.12 -57.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.031 HD22 ' HB3' ' A' ' 114' ' ' GLN . 44.6 mt 11.0 -107.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.238 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.18 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.18 -66.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.481 ' N ' HG22 ' A' ' 112' ' ' THR . 11.2 m -47.84 -25.1 1.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.463 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.031 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -85.58 -35.28 21.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.95 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.582 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.13 -40.55 74.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.497 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.47 -21.02 65.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.661 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.24 -14.51 30.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.057 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 37.2 mt -68.81 -31.38 70.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -103.54 111.49 65.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.065 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.96 120.55 6.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.725 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -147.39 -133.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.725 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.08 83.46 0.2 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.574 -179.962 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.44 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.7 Cg_endo -74.94 3.56 5.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.55 1.816 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -140.32 -43.65 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.336 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.0 mt-30 -65.19 -4.14 4.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.793 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.36 -37.07 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.871 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.4 m-85 -85.98 -10.28 55.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.61 -15.06 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 108.306 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.82 -43.77 7.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.587 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.21 170.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER -149.46 13.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.856 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 3.3 p -164.93 87.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.958 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -98.45 121.27 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.57 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.42 126.02 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.673 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.0 mtp180 -77.7 39.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.236 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.989 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.14 166.2 3.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 15.7 ptmt -120.97 121.3 37.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.828 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.91 102.28 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.913 HG12 HG11 ' A' ' 78' ' ' VAL . 3.8 m -105.83 -35.05 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -116.39 162.11 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.103 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.4 mp0 -144.13 -175.19 4.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.693 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.3 ttpt -154.87 113.8 3.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.458 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 7.6 tt0 -74.73 92.08 2.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.559 HG13 ' HG2' ' A' ' 27' ' ' LYS . 4.9 m -97.79 96.56 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.497 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -46.72 146.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.665 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -134.82 18.48 3.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.62 -175.05 27.02 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.9 m-20 -84.22 166.13 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.0 t0 -96.16 -162.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.783 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -79.88 1.38 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -109.11 -0.61 19.31 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.61 -9.58 73.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -77.67 154.19 81.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.08 130.28 13.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.665 HG21 ' OG ' ' A' ' 31' ' ' SER . 48.4 mt -71.83 -83.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.552 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.32 123.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.601 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -128.43 68.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.972 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.958 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.5 145.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.693 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.2 mm-40 -89.5 -178.44 5.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 1.043 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.98 68.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.3 tt0 -62.34 69.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.989 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.1 pt -68.0 -172.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.575 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.8 ttpt -124.28 7.81 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.575 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.0 mm100 39.37 103.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.496 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -111.24 -33.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.536 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -144.24 162.01 37.46 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.49 ' HA ' HG22 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -142.26 69.89 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.105 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -36.74 -78.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.951 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.59 ' HB3' HG23 ' A' ' 18' ' ' VAL . 8.2 tptp -128.53 70.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -116.33 -164.4 13.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.651 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -74.97 -168.03 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -95.49 -34.77 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.43 -79.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.591 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.4 t70 148.42 163.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.709 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -104.17 -80.06 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.512 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 74.09 -7.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 110.328 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.536 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -141.68 93.74 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -100.3 170.22 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.594 1.184 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.683 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -124.27 160.01 28.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 1.043 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.9 t -174.54 -162.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.646 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -109.61 153.63 42.82 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.958 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -74.98 -160.7 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 62.59 -163.7 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.932 179.922 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.581 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 39.7 p -79.29 39.93 0.41 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.725 ' HB2' ' HB3' ' A' ' 75' ' ' SER . . . 75.87 97.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.566 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -107.48 -36.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.646 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 17.1 m -127.09 18.27 7.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.933 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.539 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -157.12 -155.91 7.67 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.001 HG23 HD12 ' A' ' 104' ' ' ILE . 47.6 t -116.51 10.18 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.725 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 0.0 OUTLIER 22.95 88.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.003 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -107.76 128.76 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.601 1.188 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.571 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -117.39 -8.04 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.95 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.2 t 75.21 -34.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.31 -9.83 25.42 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.489 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -127.01 -37.59 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.556 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -94.66 -100.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.95 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.07 -68.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.208 179.973 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.543 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -159.86 163.36 34.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.155 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.5 p90 -146.97 153.12 39.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.715 HD11 HG23 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -84.37 3.86 33.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.155 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 8.99 102.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.078 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -124.78 110.97 14.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.616 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.15 -178.68 17.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.08 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.8 mttt -59.94 -19.05 49.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.856 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 75.88 -178.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.503 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 42.2 tt0 -125.77 -41.69 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.55 53.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 95' ' ' LYS . 12.6 t70 57.03 154.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 0.76 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.497 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 65.21 -4.82 1.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.709 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -179.65 144.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.759 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -147.43 -170.83 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.928 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.683 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -130.7 126.32 36.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.6 179.999 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.006 HD13 HG21 ' A' ' 63' ' ' ILE . 9.3 pt -134.58 140.86 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.669 ' O ' HD11 ' A' ' 104' ' ' ILE . 2.2 p -138.23 159.61 41.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.527 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -60.96 -22.47 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -28.8 27.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.446 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 21.1 t0 -81.31 172.73 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.078 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.8 118.23 14.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.001 HD12 HG23 ' A' ' 74' ' ' VAL . 4.9 pt -164.73 137.04 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.715 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.49 157.89 31.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.61 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.06 10.85 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.673 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.0 t90 71.51 -60.36 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.639 ' O ' HG23 ' A' ' 109' ' ' THR . 38.2 t70 -70.01 52.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.674 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.7 p -158.16 -58.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.918 HD22 ' HB3' ' A' ' 114' ' ' GLN . 51.9 mt 13.06 -107.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 146.56 -41.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.59 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.43 -65.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.498 ' N ' HG22 ' A' ' 112' ' ' THR . 24.5 m -49.48 -28.04 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.918 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -82.32 -31.26 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.311 179.942 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.551 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -75.0 -41.99 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.428 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -61.55 -20.26 63.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.682 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.38 -10.37 41.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 110.017 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.105 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 49.6 mt -74.51 -28.01 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.969 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.76 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.9 p -135.23 130.04 19.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -74.96 127.65 10.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.436 1.756 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.756 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.6 p -146.4 -133.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.756 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 33.33 88.3 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.614 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.683 ' O ' HG22 ' A' ' 113' ' ' THR . 18.5 Cg_endo -74.88 3.12 5.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.549 1.815 . . . . 0.0 111.046 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.511 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 6.8 tp-100 -141.35 -45.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 6.5 mt-30 -63.78 -5.61 4.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.807 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.63 -37.97 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.873 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -87.3 3.21 47.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.431 1.082 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.5 -15.55 13.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 -179.935 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.1 -36.99 10.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.583 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.03 172.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -150.17 13.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.715 HG23 ' HD3' ' A' ' 56' ' ' PRO . 11.5 p -167.31 91.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.012 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -101.16 119.26 49.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.621 HG22 ' HG3' ' A' ' 52' ' ' MET . 1.0 OUTLIER -145.17 126.16 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.653 ' HD2' HD11 ' A' ' 50' ' ' ILE . 1.4 ttm180 -77.55 38.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.586 1.179 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.987 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.67 166.31 4.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.454 1.096 . . . . 0.0 110.488 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 13.9 ptmt -120.63 121.25 37.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.84 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.54 104.79 16.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.913 HG12 HG11 ' A' ' 78' ' ' VAL . 4.4 m -108.95 -34.18 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -116.69 166.51 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -149.56 179.84 7.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.663 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.7 ttpt -147.34 113.17 5.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.5 tt0 -74.33 90.83 2.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.379 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.595 HG13 ' HG2' ' A' ' 27' ' ' LYS . 10.8 m -98.07 94.6 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.507 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -44.32 147.25 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.663 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -134.67 17.74 3.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.75 -175.4 26.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.107 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 9.6 m-80 -84.45 165.89 17.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.78 -161.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.786 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.84 0.32 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -107.9 -0.41 21.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.14 -8.3 77.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -78.51 153.09 78.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -74.98 129.58 12.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.405 1.739 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.663 HG21 ' OG ' ' A' ' 31' ' ' SER . 48.8 mt -70.81 -82.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.554 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 68.69 123.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.632 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.5 ptt180 -128.75 68.82 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.945 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -42.44 142.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.5 mm-40 -85.36 -176.34 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.343 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.933 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -138.28 70.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.2 tt0 -63.39 68.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.987 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.1 pt -66.71 -172.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.594 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.4 ttpt -123.63 10.91 9.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.8 mm100 35.79 101.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.653 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -111.25 -32.77 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -142.12 160.28 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.621 ' HG3' HG22 ' A' ' 19' ' ' ILE . 31.8 ttm -142.05 67.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.695 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 14.8 m-85 -39.45 -82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.537 ' C ' ' CE ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -123.67 76.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.411 ' N ' ' HE3' ' A' ' 54' ' ' LYS . . . -124.47 -162.89 11.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.715 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.0 Cg_endo -75.02 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -99.4 -34.34 10.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.311 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -72.97 -79.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.93 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.611 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.7 t70 149.57 165.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.621 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -106.94 -79.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.497 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 74.36 -9.21 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.583 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -144.12 94.71 2.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.955 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.976 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -98.02 171.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.945 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.65 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -122.57 151.68 41.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.832 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.5 t -168.36 -162.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.627 ' HB1' HG22 ' A' ' 71' ' ' VAL . . . -107.99 153.3 41.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.945 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.04 -158.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.498 1.789 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 53.96 -170.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 110.025 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -71.03 53.09 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.592 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 61.78 102.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.765 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -110.32 -27.65 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.765 ' SG ' HG23 ' A' ' 71' ' ' VAL . 8.5 m -137.46 13.87 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 108.317 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.592 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -152.39 -152.71 6.03 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.968 HG23 HD12 ' A' ' 104' ' ' ILE . 50.6 t -114.68 3.14 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.237 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 74' ' ' VAL . 60.4 p 28.09 83.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.059 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.147 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.09 138.1 41.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.466 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.3 OUTLIER -126.73 0.53 6.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.02 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.2 t 70.93 -54.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.348 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.21 -12.63 1.43 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.443 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.25 -29.33 1.97 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.518 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -111.31 -93.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.02 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 163.71 -73.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -155.78 164.05 39.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.147 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.3 p90 -150.33 152.36 34.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 1.136 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.74 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.38 3.91 29.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.133 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.68 101.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.042 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.46 106.75 9.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.688 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -160.38 155.55 26.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -35.0 95.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 0.709 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.666 ' HB2' ' HB ' ' A' ' 17' ' ' VAL . . . -55.77 174.72 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.502 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 22.3 tp10 -118.6 -2.76 10.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 141.37 -109.98 0.62 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 0.0 111.063 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.505 ' OD1' ' CB ' ' A' ' 56' ' ' PRO . 77.1 m-20 -143.49 133.63 24.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.501 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 87.89 -4.37 85.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.6 141.66 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.755 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.45 -169.75 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.438 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -124.91 133.69 52.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 179.979 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.976 HD13 HG21 ' A' ' 63' ' ' ILE . 15.9 pt -145.28 137.41 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.628 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.8 OUTLIER -135.77 159.34 41.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.76 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER -55.49 -44.52 76.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.433 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -63.11 -32.34 73.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.476 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.4 t0 -74.11 168.2 20.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.042 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.96 119.28 14.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.968 HD12 HG23 ' A' ' 74' ' ' VAL . 3.4 pt -166.41 135.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.675 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.96 157.46 31.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.585 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 10.18 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.447 1.762 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 10.1 t90 72.88 -60.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.666 ' O ' HG23 ' A' ' 109' ' ' THR . 25.2 t70 -69.44 53.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 3.3 p -159.11 -56.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.99 HD22 ' HB3' ' A' ' 114' ' ' GLN . 65.3 mt 11.69 -106.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.66 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 145.45 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.614 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.62 -63.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.35 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 8' ' ' PRO . 6.0 m -50.34 -24.74 3.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.99 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -85.74 -38.49 18.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.561 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -65.33 -40.6 93.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.612 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -60.76 -20.56 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.73 -10.38 40.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.057 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.695 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -87.44 7.21 30.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.943 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.417 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 19.4 p -92.47 121.37 66.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.999 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.466 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.04 121.36 6.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.579 1.831 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.759 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.8 p -148.4 -134.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.759 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 35.48 89.22 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HB2' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.08 -31.36 6.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.508 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.3 OUTLIER -96.62 -41.29 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.501 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -67.53 -6.34 19.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.763 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.49 -36.36 22.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.856 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.8 m-85 -89.78 2.07 55.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -110.73 -11.4 14.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 108.284 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -102.37 -42.17 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.556 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.23 171.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.48 15.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.852 HG21 ' SD ' ' A' ' 96' ' ' MET . 11.9 p -165.5 86.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.915 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.998 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -98.48 117.73 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.577 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -143.24 124.71 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.662 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.7 ttp180 -76.57 40.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.957 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.6 t -63.57 171.58 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.49 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 13.7 ptmt -125.08 120.53 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.862 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.7 102.69 14.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.901 HG12 HG11 ' A' ' 78' ' ' VAL . 3.4 m -105.23 -35.44 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.405 1.066 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -115.94 166.29 12.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.95 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.2 mp0 -150.56 -179.24 7.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.927 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -145.49 113.88 6.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.427 ' CG ' ' HE3' ' A' ' 41' ' ' LYS . 3.0 tt0 -74.38 93.0 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.543 HG13 ' HG2' ' A' ' 27' ' ' LYS . 27.4 m -106.42 122.64 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.241 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.54 160.89 18.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.563 ' OG ' HG21 ' A' ' 40' ' ' ILE . 2.2 t -148.16 19.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.601 1.188 . . . . 0.0 109.957 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.53 177.9 42.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.519 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 9.3 m-20 -85.19 164.5 18.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.2 t70 -95.72 -162.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.757 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.0 mp -79.7 0.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.31 -1.06 20.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.56 -8.74 76.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.145 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.0 p-10 -78.68 153.39 78.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.08 129.97 12.76 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.406 1.74 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.563 HG21 ' OG ' ' A' ' 31' ' ' SER . 52.5 mt -64.17 -78.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.631 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.1 tppt? 69.95 126.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.666 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -131.37 66.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.94 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -39.51 141.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.672 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.9 mm-40 -83.65 -177.94 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.95 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.81 70.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.7 tt0 -63.6 67.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.957 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.3 pt -66.57 -177.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.49 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -118.74 -4.17 10.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.51 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 12.8 mm100 55.79 117.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.451 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -124.09 -35.76 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' HG12 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -143.97 163.36 33.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.508 ' CE ' ' O ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -144.07 64.69 1.31 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 20.7 m-85 -39.39 -81.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.402 1.064 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.632 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -119.32 72.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.11 -166.92 12.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.721 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.04 -176.17 2.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.432 1.754 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -92.0 -32.6 15.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.666 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -71.91 -80.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.666 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.5 t70 149.27 163.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.712 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.3 mm -106.14 -79.07 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.394 1.059 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 75.64 -8.35 1.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -145.98 95.89 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.905 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -100.66 171.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.721 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -123.49 148.69 45.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.807 HG21 ' CE2' ' A' ' 45' ' ' TYR . 9.8 t -166.23 -165.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.569 1.168 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -99.61 154.52 37.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.94 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.02 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.517 1.798 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.04 -174.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.938 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.749 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 1.4 p -47.59 -44.65 26.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.051 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 158.11 105.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.694 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -108.84 -37.61 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.811 ' O ' HG22 ' A' ' 99' ' ' THR . 19.2 m -130.28 20.69 5.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 108.255 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.775 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -161.96 -156.12 8.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.768 HG23 ' CD1' ' A' ' 104' ' ' ILE . 69.9 t -115.66 -4.01 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 32.44 85.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.018 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.11 133.1 48.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.597 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -113.79 -9.49 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.961 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.057 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 76.88 -42.28 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -56.92 -11.7 6.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.488 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -121.31 -32.46 1.05 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.536 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.79 -98.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.057 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.11 -74.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.945 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 10.7 mp0 -151.65 161.15 43.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.149 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.8 p90 -145.37 153.4 41.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.802 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -83.0 2.83 32.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.149 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.28 99.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.052 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.18 107.77 11.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.599 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.01 165.94 26.11 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.711 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.5 tttm -39.47 -31.96 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.07 -178.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.585 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.0 tm-20 -136.0 -42.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.42 -146.33 8.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.515 ' O ' ' CE ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -102.43 125.71 49.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 87.75 -3.31 86.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -167.54 139.03 3.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.351 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.852 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -137.21 -157.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.721 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -143.36 124.1 14.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 -179.948 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.018 HD12 HG13 ' A' ' 86' ' ' ILE . 1.2 pt -138.6 143.29 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -141.04 164.52 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.719 HD22 ' HA ' ' A' ' 72' ' ' CYS . 1.2 pt? -58.94 -49.9 76.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.586 ' H ' HD23 ' A' ' 100' ' ' LEU . 5.4 t -62.76 -13.33 31.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 108.362 179.95 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.437 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.3 t0 -92.71 166.66 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.052 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.28 115.63 9.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.808 HG23 ' O ' ' A' ' 103' ' ' PHE . 5.9 pt -163.99 133.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.506 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -155.31 157.99 31.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.571 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 4.65 4.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.802 ' HD1' HD12 ' A' ' 85' ' ' LEU . 2.0 t90 77.97 -56.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.603 ' O ' HG23 ' A' ' 109' ' ' THR . 12.6 t0 -70.6 50.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.66 ' O ' ' C ' ' A' ' 110' ' ' LEU . 19.6 p -159.49 -60.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.66 ' C ' ' O ' ' A' ' 109' ' ' THR . 93.7 mt 16.28 -106.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.618 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.6 m 149.72 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.26 -68.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 110.446 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.539 ' N ' HG22 ' A' ' 112' ' ' THR . 1.1 m -47.71 -24.21 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.804 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -85.84 -32.84 21.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.509 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -71.43 -42.52 68.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.361 179.962 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -62.11 -21.16 64.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -87.45 -14.4 40.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -76.64 -15.83 59.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.231 -179.991 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -103.43 109.76 62.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.962 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.06 127.43 10.64 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.774 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -154.58 -133.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.774 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.92 86.67 0.13 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.607 -179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.482 ' O ' HG22 ' A' ' 113' ' ' THR . 18.6 Cg_endo -74.94 0.9 8.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.543 1.812 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.49 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -138.07 -42.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.2 mt-30 -64.83 -4.52 4.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.803 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.21 -37.37 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.871 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.4 m-85 -87.21 -1.76 58.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 -179.922 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.1 m -106.76 -15.38 14.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 -179.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.06 -40.22 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.558 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -55.32 171.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -149.82 15.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 17' ' ' VAL . 7.3 p -166.77 89.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.984 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -101.14 119.51 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.678 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.01 125.28 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.653 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.7 mtp180 -76.38 37.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.833 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -58.56 169.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.53 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.9 ptmt -124.17 118.06 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.78 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.45 102.37 14.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.934 HG12 HG11 ' A' ' 78' ' ' VAL . 8.6 m -107.23 -31.96 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -117.46 164.0 15.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.952 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.9 mp0 -148.99 -179.84 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.642 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.9 ttpt -145.82 112.97 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.59 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 4.2 tt0 -74.93 92.23 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.557 HG13 ' HG2' ' A' ' 27' ' ' LYS . 34.9 m -107.21 116.08 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.496 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.3 m-20 -56.91 161.34 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.617 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.4 t -146.59 18.02 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.957 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.42 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 77.15 177.88 46.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.514 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.3 m120 -84.46 163.77 19.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.773 . . . . 0.0 109.33 179.927 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.7 t0 -95.05 -161.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.784 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.19 0.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.8 -1.47 19.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.59 -9.0 77.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.8 p-10 -77.74 153.57 80.82 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.778 . . . . 0.0 109.369 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.1 129.52 12.33 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.617 HG21 ' OG ' ' A' ' 31' ' ' SER . 63.4 mt -64.99 -79.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.59 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.2 tppt? 69.25 126.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.643 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -130.61 69.35 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.01 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.99 140.48 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.643 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 5.7 mm-40 -82.28 -179.25 7.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.994 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.34 67.8 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.617 1.198 . . . . 0.0 110.968 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 11.4 tt0 -62.72 72.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.833 HD12 ' CG2' ' A' ' 21' ' ' THR . 1.9 pt -67.85 -167.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.643 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.9 ttpt -132.41 10.34 4.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.232 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.643 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 42.76 110.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.53 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -118.88 -29.4 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.51 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -151.91 169.96 21.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.574 ' HG3' HG22 ' A' ' 19' ' ' ILE . 2.7 ttm -146.32 70.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.106 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -41.88 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.973 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HB3' HG23 ' A' ' 18' ' ' VAL . 19.3 tptt -128.14 73.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.08 -155.93 8.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.54 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.07 -170.6 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -89.09 -35.35 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.36 -80.31 0.17 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 153.86 171.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.664 HG21 ' HG2' ' A' ' 96' ' ' MET . 1.8 mm -98.31 -69.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 72.36 -9.41 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.355 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.563 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -146.2 99.31 3.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 111.005 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.074 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -105.22 172.16 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.782 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -127.24 150.6 49.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.77 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.7 t -166.14 -163.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.378 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.89 154.52 37.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.01 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.7 Cg_endo -74.99 -161.3 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.396 1.735 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.06 -172.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.733 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 3.7 p -47.92 -46.88 32.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 156.88 106.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.721 ' O ' HD22 ' A' ' 100' ' ' LEU . 1.1 m -109.33 -43.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.711 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 85.7 m -124.0 30.55 6.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.058 . . . . 0.0 108.311 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.658 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -171.22 -160.12 18.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.845 HG23 HD12 ' A' ' 104' ' ' ILE . 97.2 t -115.06 0.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.504 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 31.03 84.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.437 1.086 . . . . 0.0 110.023 -179.991 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.054 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.4 133.13 49.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.473 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -117.92 -2.27 11.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.962 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.59 -53.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.373 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.75 -15.58 0.33 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.911 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.467 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -117.28 -31.59 1.66 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.523 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -104.91 -94.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 0.728 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.962 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.9 -66.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.378 -179.965 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -163.28 168.66 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.163 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -152.22 154.05 35.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.753 HD11 HG23 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -84.48 2.78 39.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.163 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 11.16 101.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.364 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.063 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.61 106.98 9.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.547 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.31 173.2 23.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.583 1.177 . . . . 0.0 111.023 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.702 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.9 tttm -40.62 -40.86 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.76 175.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.53 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.1 tp10 -132.86 3.78 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.31 -121.27 3.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -130.65 144.72 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 74.61 -0.16 56.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.15 139.77 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.745 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.53 -170.38 3.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.946 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.782 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -130.16 128.78 42.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.646 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.074 HD13 HG21 ' A' ' 63' ' ' ILE . 2.7 pt -138.4 143.61 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.562 ' O ' HD11 ' A' ' 104' ' ' ILE . 2.2 p -140.15 167.55 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.721 HD22 ' O ' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -65.79 -33.6 76.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.906 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -24.57 61.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.426 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.0 t0 -84.95 169.6 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.063 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -71.37 119.27 15.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.86 HG22 ' HA ' ' A' ' 86' ' ' ILE . 7.1 pt -165.14 137.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.753 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.18 158.59 32.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.222 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.6 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 10.27 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.653 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.3 t90 72.02 -60.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.635 ' O ' HG23 ' A' ' 109' ' ' THR . 51.2 t0 -70.0 52.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.652 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.6 p -158.12 -59.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.874 HD22 ' HB3' ' A' ' 114' ' ' GLN . 57.9 mt 14.0 -107.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.942 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.641 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 146.69 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.25 -66.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.522 ' N ' HG22 ' A' ' 112' ' ' THR . 14.2 m -48.42 -27.58 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.874 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -83.94 -30.02 26.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 110.249 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.496 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -75.62 -40.83 55.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.447 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.14 -20.49 64.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.933 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.696 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -90.58 -13.04 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.015 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.106 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 50.2 mt -72.38 -29.96 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.5 p -112.98 106.48 55.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.91 125.29 9.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.722 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.2 p -149.61 -132.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.722 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 36.74 87.4 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.629 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.67 ' O ' HG22 ' A' ' 113' ' ' THR . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.808 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.503 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 8.6 tp-100 -138.91 -43.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.6 mt-30 -65.29 -4.75 5.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.825 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.43 -36.43 22.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.897 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -89.25 -1.56 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.68 -15.06 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 0.0 108.361 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.25 -39.93 9.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.549 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.57 172.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.02 15.77 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.931 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 3.5 p -165.64 87.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.004 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -100.26 119.96 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.582 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.95 123.22 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.75 ' HD2' HD11 ' A' ' 50' ' ' ILE . 2.1 ttm180 -75.7 39.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.414 1.072 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.916 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -60.39 172.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.569 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.8 ptmt -126.33 119.33 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.787 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.61 99.06 11.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.837 HG12 HG11 ' A' ' 78' ' ' VAL . 6.2 m -101.66 -35.72 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.488 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.6 t -115.09 164.24 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -146.72 -173.26 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.0 ttpt -153.09 119.04 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.39 1.056 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' C ' ' HZ2' ' A' ' 41' ' ' LYS . 6.2 tt0 -79.51 94.93 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.644 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 33.2 m -108.86 92.99 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.87 141.33 10.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.498 ' OG ' HG21 ' A' ' 40' ' ' ILE . 3.0 t -122.8 32.8 5.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.13 -171.45 0.58 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.547 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -86.19 164.79 17.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 0.811 . . . . 0.0 109.342 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.6 t0 -96.47 -160.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.771 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.5 1.93 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -107.64 -2.57 20.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.26 -6.86 82.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.547 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 11.7 p-10 -83.14 153.21 66.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.258 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 129.29 12.18 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.525 1.803 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.498 HG21 ' OG ' ' A' ' 31' ' ' SER . 65.3 mt -69.61 -80.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.99 ' HZ3' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER 71.77 121.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.541 ' N ' ' HE2' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -137.58 76.03 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 -179.995 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.99 HD12 ' HZ3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -49.89 153.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.698 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.0 mm-40 -90.96 178.74 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.944 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.54 68.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.488 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.3 tt0 -63.25 71.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.916 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.2 pt -68.38 -168.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.605 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.7 ttpt -131.15 13.72 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 39.01 105.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.75 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -115.66 -27.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -151.62 161.61 42.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.473 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.05 78.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.969 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.776 ' CE2' HD22 ' A' ' 118' ' ' LEU . 10.7 m-85 -53.09 -69.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.846 ' HB3' HG23 ' A' ' 18' ' ' VAL . 3.8 tptt -133.25 165.18 25.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.538 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 126.31 -137.01 9.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 111.029 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.453 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.94 -167.84 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -112.3 -30.27 7.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.96 -78.31 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.3 t0 154.76 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.647 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -104.15 -72.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.8 mt-10 73.69 -9.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.314 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.544 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -146.24 97.99 3.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.547 1.154 . . . . 0.0 111.051 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.991 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -103.86 165.65 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.596 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.2 m-85 -120.68 146.03 46.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.92 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.901 HG21 ' CE2' ' A' ' 45' ' ' TYR . 10.1 t -164.65 -161.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.354 -179.93 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.659 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -105.61 146.13 32.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.968 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.03 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 65.92 -159.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.607 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 92.3 p -78.91 31.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.607 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 78.23 106.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.539 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -113.04 -38.98 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.659 ' H ' ' HB3' ' A' ' 66' ' ' ALA . 14.2 m -124.26 14.33 8.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.56 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.42 -154.65 6.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.941 HG23 HD12 ' A' ' 104' ' ' ILE . 68.6 t -111.36 -2.7 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.607 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 16.4 p 34.53 80.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.094 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.24 130.89 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.59 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.65 -10.67 11.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.926 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.017 HG22 ' O ' ' A' ' 82' ' ' LYS . 2.1 t 74.51 -15.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.631 1.207 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -75.05 -7.87 82.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.489 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -133.15 -31.0 0.45 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.528 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -97.76 -99.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.017 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 167.41 -72.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 16.8 mp0 -154.62 162.4 41.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.233 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.144 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -143.93 152.52 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.81 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.32 3.02 33.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.144 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.89 102.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.019 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -131.18 103.09 6.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.517 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -157.89 166.3 33.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -37.88 97.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.931 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -63.52 174.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.515 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.4 tp10 -124.47 4.29 8.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.95 -120.43 2.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.1 133.8 41.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 88.28 -3.28 85.49 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.647 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.44 143.25 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.731 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -147.98 -169.65 3.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.48 131.32 51.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.6 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.991 HD13 HG21 ' A' ' 63' ' ' ILE . 7.8 pt -142.79 143.79 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.597 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.8 OUTLIER -142.09 162.76 34.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -58.74 -43.16 90.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -63.96 -31.97 73.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.289 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.43 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.8 t0 -75.13 167.57 21.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.019 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -70.78 119.66 15.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.941 HD12 HG23 ' A' ' 74' ' ' VAL . 5.0 pt -165.99 134.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.584 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.79 157.53 31.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.578 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 7.12 3.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.675 ' CZ3' ' CZ ' ' A' ' 20' ' ' ARG . 3.3 t90 75.47 -57.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.599 ' O ' HG23 ' A' ' 109' ' ' THR . 10.5 t70 -69.7 50.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.706 ' O ' ' C ' ' A' ' 110' ' ' LEU . 13.1 p -158.65 -52.16 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.924 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.986 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.0 mt 6.03 -107.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.651 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.46 -41.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.041 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.622 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.04 -63.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.379 179.942 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 8' ' ' PRO . 5.2 m -49.82 -21.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.342 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.986 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -88.92 -40.12 13.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.767 ' HA ' HD12 ' A' ' 118' ' ' LEU . 1.4 mtmt -65.84 -37.97 87.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.648 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.22 -20.98 64.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.595 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -89.94 -20.59 23.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.776 HD22 ' CE2' ' A' ' 53' ' ' PHE . 1.3 mt -78.61 -0.87 31.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.945 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 53.4 p -84.44 121.99 75.14 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.95 69.63 5.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.707 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -83.18 -134.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.707 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.38 95.58 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.623 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.499 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -75.03 -33.69 4.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.481 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -113.73 -33.99 5.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 0.0 110.368 179.964 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.619 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.4 OUTLIER -61.92 -11.32 12.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.236 -179.978 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.8 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.17 -36.74 24.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.876 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -88.3 0.01 56.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.6 m -108.32 -11.45 15.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 108.318 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.619 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.4 OUTLIER -101.01 -41.44 6.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.229 -179.94 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.626 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.56 170.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.603 1.189 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -148.73 14.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.79 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 9.2 p -165.65 88.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.011 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.75 116.51 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.68 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -141.33 124.77 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.658 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.3 mtp180 -76.25 39.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.892 HG21 HD12 ' A' ' 47' ' ' ILE . 2.7 t -60.37 177.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.6 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.3 ptmt -132.75 119.49 20.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.807 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.01 99.12 11.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.881 HG12 HG11 ' A' ' 78' ' ' VAL . 2.8 m -100.48 -37.51 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.565 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -105.54 170.72 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.948 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.548 ' HG3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -155.32 151.54 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.281 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.701 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.5 ttpt -124.62 105.13 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 1.4 tt0 -72.41 90.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.945 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.512 HG13 ' HG2' ' A' ' 27' ' ' LYS . 27.0 m -101.68 126.09 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.517 ' CG ' ' HZ3' ' A' ' 41' ' ' LYS . 3.1 m-20 -68.24 159.42 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.605 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.8 t -144.72 18.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.63 -179.81 43.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.51 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 7.3 m-20 -85.33 164.19 18.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.18 -161.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.784 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.77 -0.49 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -107.27 -0.37 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.23 -8.24 77.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.418 1.074 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.51 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.68 153.09 78.28 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.6 Cg_endo -75.01 128.66 11.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.605 HG21 ' OG ' ' A' ' 31' ' ' SER . 47.4 mt -64.63 -79.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.634 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 11.9 tppt? 69.19 125.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.683 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -129.97 67.78 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.937 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -38.81 145.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.701 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 11.7 mm-40 -91.05 -179.88 5.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.987 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.7 OUTLIER -136.4 69.05 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.178 . . . . 0.0 111.004 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.565 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.6 tt0 -62.93 68.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.892 HD12 HG21 ' A' ' 21' ' ' THR . 2.7 pt -64.88 -170.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -129.56 2.01 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.497 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.3 119.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.647 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -126.98 -27.93 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.53 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -157.36 169.23 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.524 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -145.33 66.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.952 -179.952 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.112 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -36.95 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.622 ' HB3' HG23 ' A' ' 18' ' ' VAL . 2.0 tptt -127.93 69.8 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.85 -157.06 9.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.708 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.98 -174.87 2.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -92.53 -32.84 14.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.347 179.929 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -77.57 -80.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 151.39 169.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.617 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.3 mm -102.38 -72.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.542 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 75.1 -7.76 1.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.593 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -149.24 102.61 3.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.911 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.056 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -108.44 164.37 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 4.4 m-85 -117.51 152.97 33.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.987 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.9 t -169.81 -160.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.742 ' HB1' HG22 ' A' ' 71' ' ' VAL . . . -104.32 155.1 37.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.937 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.06 -159.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.47 1.773 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.93 -174.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.784 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 2.1 t -52.4 -32.17 37.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 149.34 108.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.742 HG22 ' HB1' ' A' ' 66' ' ' ALA . 1.3 m -110.05 -45.2 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.764 ' HA ' HD22 ' A' ' 100' ' ' LEU . 71.0 m -124.32 15.62 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.215 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.646 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -151.04 -158.41 8.3 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.78 HG23 ' CD1' ' A' ' 104' ' ' ILE . 52.9 t -114.24 -4.58 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.506 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 35.72 89.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.965 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -106.28 131.58 53.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.518 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -114.98 -6.24 12.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.946 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.948 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 70.78 -48.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 -179.971 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.463 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.43 -18.07 0.3 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.497 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.38 -34.97 1.14 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.555 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -97.05 -97.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 0.0 109.332 -179.956 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.948 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.58 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -159.37 164.2 34.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.16 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -146.67 153.89 40.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.591 1.182 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.764 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.66 3.55 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.16 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.76 102.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.031 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.47 112.12 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.426 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.41 -179.16 21.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.11 -34.62 14.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.79 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 81.63 173.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.534 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.1 tp10 -134.68 6.85 3.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.2 -123.65 4.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -128.47 144.02 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 78.58 -3.49 63.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.617 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.61 144.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.783 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.702 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.83 -169.18 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.961 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.55 129.87 48.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.6 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.056 HD13 HG21 ' A' ' 63' ' ' ILE . 2.2 pt -143.16 143.0 25.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.556 ' OG1' ' HB2' ' A' ' 102' ' ' ASP . 0.6 OUTLIER -138.95 166.67 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.764 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -62.09 -50.62 71.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.246 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.566 ' H ' HD23 ' A' ' 100' ' ' LEU . 5.3 t -62.63 -14.63 45.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.319 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.556 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.9 t0 -89.33 168.58 12.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.031 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -71.38 115.14 10.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.426 1.079 . . . . 0.0 111.015 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.832 HG23 ' O ' ' A' ' 103' ' ' PHE . 6.3 pt -164.6 135.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.703 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.75 158.34 32.18 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.612 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 11.54 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.658 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.9 t90 70.7 -61.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.632 ' O ' HG23 ' A' ' 109' ' ' THR . 48.1 t0 -69.12 52.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.659 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.6 p -157.92 -57.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.443 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.007 HD22 ' HB3' ' A' ' 114' ' ' GLN . 62.5 mt 14.17 -107.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 148.43 -42.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.05 -59.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.598 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 31.8 m -54.72 -22.96 15.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.446 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.007 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -86.78 -34.43 19.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.944 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.543 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -69.48 -38.54 77.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.598 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 3.0 pttt -63.73 -17.12 62.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.697 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.23 -5.98 32.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.112 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 22.6 mt -75.85 -30.25 58.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.965 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.631 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.8 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.3 p -125.61 118.59 24.51 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.96 85.29 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.73 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.6 p -103.16 -133.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.73 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 33.51 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.601 179.979 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.442 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -74.96 3.4 5.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.429 ' OE1' ' OG ' ' A' ' 117' ' ' SER . 4.1 tp-100 -140.05 -41.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.582 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -64.9 -7.58 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.967 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.782 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.45 -35.26 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.859 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -90.51 7.78 37.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -117.16 -11.06 10.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 108.333 179.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.582 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -101.03 -38.14 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.642 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.51 173.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -148.97 11.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.664 HG21 ' SD ' ' A' ' 96' ' ' MET . 2.6 p -167.25 90.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.919 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -99.74 119.44 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.57 HD11 ' HE2' ' A' ' 96' ' ' MET . 0.6 OUTLIER -144.29 125.1 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.689 ' CZ ' ' CZ2' ' A' ' 107' ' ' TRP . 3.2 mtp180 -76.32 39.92 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.878 HG21 HD12 ' A' ' 47' ' ' ILE . 1.8 t -61.48 175.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.102 . . . . 0.0 110.404 -179.953 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.695 ' HG2' HG22 ' A' ' 50' ' ' ILE . 13.6 ptmt -130.35 119.69 23.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.838 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.34 101.53 13.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.928 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.894 HG12 HG11 ' A' ' 78' ' ' VAL . 2.8 m -103.61 -33.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.491 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.7 t -117.76 162.22 18.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -145.66 -174.56 4.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.97 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.635 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.2 ttpt -152.84 113.01 3.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.492 ' HG3' HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -75.67 90.6 2.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.234 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.546 HG13 ' HG2' ' A' ' 27' ' ' LYS . 21.2 m -99.46 83.41 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.74 143.07 2.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.491 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.0 t -127.06 32.02 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.96 -171.64 7.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.444 1.09 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.541 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -83.89 165.09 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.2 t70 -96.27 -162.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.765 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -79.74 0.91 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -107.63 -3.05 19.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.97 -6.92 83.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.541 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -80.63 153.35 73.28 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.506 0.768 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.05 128.2 11.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.46 1.769 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 31' ' ' SER . 36.8 mt -70.92 -94.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 40' ' ' ILE . 25.0 ttmt 73.73 125.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.643 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -129.58 68.62 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.952 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.992 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -37.96 143.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.643 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 8.1 mm-40 -86.2 -177.73 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.964 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -138.69 65.3 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.949 -179.959 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.491 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 9.8 tt0 -60.49 71.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.878 HD12 HG21 ' A' ' 21' ' ' THR . 2.8 pt -67.41 -173.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.8 ttpt -125.76 -0.23 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.478 ' NE2' ' OD1' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 57.8 124.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.695 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -130.14 -30.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.52 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -156.14 169.83 23.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.448 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -145.62 70.16 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.996 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.966 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -39.76 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.974 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -133.05 65.12 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.09 -156.21 10.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.575 1.172 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.533 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.98 -166.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.598 1.841 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.53 -37.13 12.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.08 -82.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.953 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 6.2 t0 159.56 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.931 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.803 HG21 ' HG2' ' A' ' 96' ' ' MET . 1.2 mm -98.6 -72.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.373 179.947 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.582 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 73.01 -6.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.96 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.598 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -149.8 98.36 2.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.974 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.04 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -105.4 171.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.956 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.734 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -122.84 150.04 43.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 1.084 . . . . 0.0 110.971 -179.957 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.852 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.2 t -166.44 -171.2 1.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.381 179.936 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.916 ' HB1' HG22 ' A' ' 71' ' ' VAL . . . -100.15 150.36 36.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.992 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -75.0 -160.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.457 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 58.07 -165.03 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.972 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 95.1 p -74.93 43.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.054 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.702 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 71.1 104.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.916 HG22 ' HB1' ' A' ' 66' ' ' ALA . 1.4 m -106.9 -34.94 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.656 ' HA ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -134.4 14.77 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.267 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.702 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -149.07 -158.94 8.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.827 HG23 ' CD1' ' A' ' 104' ' ' ILE . 70.9 t -111.56 -1.44 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 0.771 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 74' ' ' VAL . 67.0 p 31.98 83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.142 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.41 132.83 49.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.583 ' C ' ' H ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -116.6 -8.74 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.233 -179.947 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.894 HG11 HG12 ' A' ' 24' ' ' VAL . 1.2 t 74.27 -29.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.583 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.14 -11.4 32.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.568 1.167 . . . . 0.0 110.991 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.477 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -127.79 -34.53 0.55 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.551 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -94.27 -101.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.833 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.42 -63.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.6 OUTLIER -162.21 167.15 24.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.18 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -151.03 153.79 35.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.445 1.09 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.728 HD11 HG23 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -83.52 3.58 31.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.238 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.18 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 9.83 103.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.016 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.66 106.76 8.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.586 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -157.39 170.92 34.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -48.76 97.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.648 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -52.43 178.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 32.0 tt0 -118.64 -34.41 4.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.946 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.523 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 149.86 51.5 0.02 OUTLIER Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.523 ' O ' ' O ' ' A' ' 92' ' ' GLY . 1.8 m-20 55.35 153.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 65.62 -3.68 2.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -179.78 140.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.803 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -147.8 -173.27 4.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.734 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.24 129.21 50.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.577 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.04 HD13 HG21 ' A' ' 63' ' ' ILE . 3.7 pt -140.03 138.19 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.593 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.6 p -136.92 168.08 20.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.656 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -63.17 -43.08 99.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -64.89 -26.26 68.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.294 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.485 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 2.9 t70 -81.83 169.69 16.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.016 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -73.11 119.14 16.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.995 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.872 HG23 ' O ' ' A' ' 103' ' ' PHE . 6.9 pt -165.76 136.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.387 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.728 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.0 158.39 32.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.9 11.09 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.409 1.741 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.689 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 17.5 t90 71.68 -62.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 107.961 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.638 ' O ' HG23 ' A' ' 109' ' ' THR . 8.6 t70 -69.67 53.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.689 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.2 p -158.26 -54.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.933 HD22 ' HB3' ' A' ' 114' ' ' GLN . 51.3 mt 8.55 -107.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 147.66 -39.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.617 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.29 -65.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.418 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.518 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 22.6 m -48.21 -27.4 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.465 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.933 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -82.92 -35.94 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.239 -179.979 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -67.74 -42.68 81.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.518 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.76 -18.12 58.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.653 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.63 -15.33 26.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.964 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.966 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 93.9 mt -72.62 -28.47 62.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.369 179.893 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.8 p -114.13 110.37 48.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.454 1.765 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.718 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.1 p -140.48 -132.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.718 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 33.97 84.49 0.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.628 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.715 ' O ' HG22 ' A' ' 113' ' ' THR . 18.0 Cg_endo -75.07 3.34 5.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 5.9 tp-100 -138.23 -43.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.7 mt-30 -65.39 -5.77 8.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.221 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.827 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.45 -36.19 24.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.929 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -88.43 1.74 54.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.8 m -111.43 -14.63 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.356 179.961 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.4 -39.13 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.602 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -52.97 170.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.21 11.8 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.64 HG11 ' SD ' ' A' ' 96' ' ' MET . 10.8 p -165.7 93.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.982 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -103.15 119.4 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.535 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -143.14 126.4 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.922 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.688 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.2 mtp180 -77.34 37.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 179.942 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.859 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.6 t -61.09 166.3 3.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 18.4 ptmt -123.1 120.2 32.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.603 1.189 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.832 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.76 101.2 13.8 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.641 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.1 m -101.86 -35.23 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.3 t -119.2 165.38 14.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.4 mp0 -147.82 -174.64 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -153.2 118.35 5.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 7.6 tt0 -77.67 94.96 4.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.924 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.57 HG13 ' HG2' ' A' ' 27' ' ' LYS . 15.5 m -105.32 109.57 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 109.377 179.941 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.49 154.13 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.381 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.643 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -141.13 18.71 2.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 -179.969 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.405 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 73.6 178.7 37.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m120 -84.23 164.03 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.4 t0 -95.28 -161.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.771 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.12 0.14 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.391 179.895 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -107.98 -0.78 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.36 -8.71 76.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.527 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -78.35 153.03 79.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.261 -179.925 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.99 129.44 12.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.643 HG21 ' OG ' ' A' ' 31' ' ' SER . 58.1 mt -65.88 -79.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.605 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 14.0 tppt? 69.11 124.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.597 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.86 66.53 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.936 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.942 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.37 149.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 -179.959 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.649 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.4 mm-40 -91.06 -178.97 5.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.929 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.2 70.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 -179.968 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.8 tt0 -65.02 66.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.57 1.168 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 1.014 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.5 pt -63.84 -170.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.936 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.61 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -128.38 10.22 6.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.61 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.1 tp-100 43.66 108.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.477 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -117.78 -26.16 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -158.0 167.36 30.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' PHE . 8.8 ptm -145.77 68.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.071 ' CE2' HD22 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -37.1 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.938 -179.939 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -127.03 74.79 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -130.01 -163.26 11.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.615 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.98 -172.39 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.793 . . . . 0.0 111.053 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.23 -37.61 21.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.63 -86.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 2.1 t70 151.6 163.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.057 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.3 OUTLIER -118.77 75.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.507 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -70.08 -5.68 28.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.248 179.979 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.541 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 7.5 m-85 -134.87 92.37 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.949 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -96.26 166.54 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.599 ' CE1' ' OE1' ' A' ' 44' ' ' GLN . 18.8 m-85 -117.26 147.41 42.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 111.065 179.953 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.836 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.4 t -164.77 -168.05 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.784 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -99.32 153.46 37.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.942 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -74.92 -161.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.99 -175.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.934 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.743 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 6.7 t -45.6 -46.93 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.798 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 158.72 101.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.597 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -105.97 -41.13 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.784 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 24.6 m -126.72 25.37 6.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 108.206 -179.944 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.798 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -166.95 -160.13 13.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.892 HG23 HD12 ' A' ' 104' ' ' ILE . 74.2 t -112.59 -4.97 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 33.88 82.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.903 179.937 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.023 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.19 132.29 48.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.592 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -112.59 -11.08 13.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.952 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.641 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.6 t 73.98 -15.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -75.85 -12.14 84.13 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.462 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -128.59 -22.37 1.32 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.524 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -104.43 -97.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 109.358 179.92 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.516 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 162.93 -58.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.516 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -167.64 169.86 11.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.107 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.7 p90 -152.64 152.78 32.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.744 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.77 2.58 37.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.107 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.53 102.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.055 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.16 109.34 11.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.89 174.01 23.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.685 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -46.42 -28.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 82.6 175.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.565 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 6.7 tp10 -132.67 -10.78 3.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.3 -125.1 2.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -124.77 144.5 50.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.746 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 75.35 -3.69 46.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.154 . . . . 0.0 110.949 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.828 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -177.92 138.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 0.799 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 1.057 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -133.34 -161.37 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.965 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.428 ' ND1' ' OE1' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -131.46 122.59 26.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.659 179.998 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.044 HD12 HG13 ' A' ' 86' ' ' ILE . 2.5 pt -138.02 134.74 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 72' ' ' CYS . 1.3 p -135.12 167.99 19.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 71' ' ' VAL . 0.3 OUTLIER -63.93 -31.98 73.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -24.86 58.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 108.282 -179.988 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.411 ' O ' HG12 ' A' ' 104' ' ' ILE . 10.0 t0 -85.31 168.05 15.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.055 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -69.92 118.27 12.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.892 HD12 HG23 ' A' ' 74' ' ' VAL . 6.6 pt -164.93 134.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.647 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.48 158.84 32.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 -179.945 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 17.9 Cg_endo -75.04 10.92 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.688 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.8 t90 71.4 -61.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.029 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 109' ' ' THR . 46.1 t0 -70.45 52.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.39 179.944 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.659 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -157.08 -58.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.466 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.008 HD22 ' HB3' ' A' ' 114' ' ' GLN . 56.1 mt 14.91 -107.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.654 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 146.37 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.947 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.622 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.03 -63.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 8' ' ' PRO . 3.4 m -50.76 -22.9 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 -179.951 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.008 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -87.9 -34.73 18.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.324 179.981 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.926 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -70.19 -39.82 74.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.565 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.47 -14.82 45.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.43 -12.28 21.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.94 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.071 HD22 ' CE2' ' A' ' 53' ' ' PHE . 4.2 mt -86.87 1.71 51.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.999 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 4' ' ' SER . 1.7 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.464 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 23.4 p -94.53 112.4 57.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.2 7.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.458 1.767 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.764 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.3 p -148.6 -133.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.764 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.01 89.57 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.602 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.02 -29.09 8.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.477 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 4.1 tp-100 -108.58 -27.12 10.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -76.79 -9.33 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 179.991 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.13 -35.95 25.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.913 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -90.83 6.95 42.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.961 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.4 m -116.04 -7.94 11.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.425 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.3 OUTLIER -105.83 -39.25 6.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 179.936 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.628 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.04 171.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.67 14.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 88' ' ' GLY . 8.6 p -166.4 88.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.924 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.96 118.19 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 52' ' ' MET . 0.9 OUTLIER -142.15 125.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.625 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.9 ttp85 -77.19 40.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.937 HG21 HD12 ' A' ' 47' ' ' ILE . 2.5 t -62.73 176.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.518 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.2 ptmt -129.44 120.36 25.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.842 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.06 104.63 16.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.891 HG12 HG11 ' A' ' 78' ' ' VAL . 3.2 m -107.95 -35.28 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 5.4 t -115.31 161.27 18.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -143.42 -172.69 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 1.067 . . . . 0.0 110.245 -179.956 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.2 ttpt -154.86 118.24 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 2.7 tt0 -77.72 94.81 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.554 HG13 ' HG2' ' A' ' 27' ' ' LYS . 11.5 m -103.72 83.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.28 142.24 7.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.467 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -127.76 32.06 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.96 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 59.54 -170.45 6.09 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.515 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.2 m120 -84.02 165.66 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.594 0.82 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.8 t70 -95.97 -161.66 0.89 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.757 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -80.92 0.39 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -107.42 -1.17 21.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.87 -8.52 77.63 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.515 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.6 p-10 -79.08 153.47 77.3 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.96 129.93 12.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.778 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.467 HG21 ' OG ' ' A' ' 31' ' ' SER . 40.7 mt -73.79 -94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.531 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 28.7 ttmt 71.94 123.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.619 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -130.0 73.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.686 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -40.23 153.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.698 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 11.8 mm-40 -94.08 -178.24 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 1.06 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.77 67.39 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.999 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.9 tt0 -62.15 70.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.937 HD12 HG21 ' A' ' 21' ' ' THR . 3.2 pt -67.36 -173.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.1 ttpt -123.6 -2.51 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.482 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 57.17 123.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.606 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -132.65 -33.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -147.8 164.23 34.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.944 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.553 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -145.58 67.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.968 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.762 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 20.5 m-85 -39.7 -77.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.569 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.24 71.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.53 -157.61 9.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.474 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.04 -173.22 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.812 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -83.76 -36.92 23.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.382 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -85.03 -78.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.1 t70 154.64 171.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.736 HG23 ' N ' ' A' ' 95' ' ' LYS . 2.0 mm -94.36 -72.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.593 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 73.57 -5.86 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -147.77 97.12 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.027 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -107.86 169.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.622 ' CE2' ' OE1' ' A' ' 44' ' ' GLN . 5.0 m-85 -122.01 157.85 30.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.922 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 1.06 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.9 t -174.9 -161.64 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.453 ' CB ' ' H ' ' A' ' 72' ' ' CYS . . . -92.65 153.11 42.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.686 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 -61.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.576 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -38.87 168.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.77 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 11.1 p -37.9 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 -179.942 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 152.11 95.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.576 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.8 OUTLIER -106.96 -44.35 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.882 ' O ' HG22 ' A' ' 99' ' ' THR . 8.3 m -118.01 18.35 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 108.317 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.601 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -160.18 -157.54 8.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.85 HG23 HD12 ' A' ' 104' ' ' ILE . 88.3 t -112.4 -18.25 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.362 179.909 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 50.03 86.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.958 -179.967 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.955 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -104.55 132.17 51.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.531 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.32 -4.96 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.049 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 74.12 -53.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.98 -15.41 0.55 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.52 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -115.8 -33.02 1.61 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.52 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -105.34 -97.04 0.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.049 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.85 -77.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.408 1.068 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 12.1 mp0 -150.2 157.73 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.143 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -142.45 154.5 44.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.415 1.072 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.813 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.54 0.64 45.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.143 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.37 99.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.034 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -123.97 107.15 11.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.841 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -156.02 163.92 32.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -44.57 95.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.677 ' HB2' ' HB ' ' A' ' 17' ' ' VAL . . . -50.48 -179.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.511 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 71.1 tt0 -120.13 -38.0 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.894 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.58 50.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.508 ' O ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 56.54 152.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.468 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 66.5 -3.22 3.71 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.42 1.075 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.736 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -179.62 140.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.637 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.58 -170.73 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.963 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.31 125.92 37.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.382 1.051 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.027 HD13 HG21 ' A' ' 63' ' ' ILE . 2.9 pt -136.45 148.54 27.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.882 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -145.57 166.66 25.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.369 179.989 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.731 HD23 ' H ' ' A' ' 101' ' ' CYS . 1.1 pt? -60.37 -49.13 78.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.731 ' H ' HD23 ' A' ' 100' ' ' LEU . 4.1 t -62.3 -21.21 65.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 108.323 179.992 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.4 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.3 t0 -84.01 167.85 16.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.034 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -72.09 116.59 12.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.945 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.85 HD12 HG23 ' A' ' 74' ' ' VAL . 5.1 pt -163.15 136.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.236 179.961 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.52 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -158.85 155.99 25.86 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.57 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.97 7.91 2.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.444 1.76 . . . . 0.0 111.048 179.932 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.791 ' HD1' HD12 ' A' ' 85' ' ' LEU . 2.2 t90 74.95 -57.93 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 108.032 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.614 ' O ' HG23 ' A' ' 109' ' ' THR . 18.2 t70 -69.23 50.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 17.0 p -159.59 -49.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 110.402 -179.945 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.047 HD22 ' HB3' ' A' ' 114' ' ' GLN . 46.4 mt 5.19 -107.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.639 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.9 m 148.06 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.627 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 157.57 -62.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 12.0 m -52.15 -25.81 9.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.39 1.056 . . . . 0.0 110.328 -179.966 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.047 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -82.22 -37.65 25.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.952 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.667 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -68.21 -43.36 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.969 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.462 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -63.57 -14.48 51.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.618 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -95.21 -25.89 16.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.762 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -63.07 -28.83 70.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.407 ' OD1' ' HA ' ' A' ' 116' ' ' LYS . 2.2 p-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 13.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.4 p -71.68 110.91 8.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 179.927 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.3 Cg_endo -75.0 86.09 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 111.025 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.752 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.8 p -108.25 -133.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.752 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 40.01 88.04 0.1 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.02 -27.26 10.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.508 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 6.3 tp-100 -113.48 -28.99 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -73.04 -6.39 45.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.777 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -85.1 -35.52 21.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.88 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -91.15 6.14 46.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 m -115.17 -10.04 12.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.294 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.497 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.3 OUTLIER -104.42 -38.55 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.557 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.97 170.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.377 1.048 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.88 14.53 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.829 HG21 ' SD ' ' A' ' 96' ' ' MET . 12.4 p -165.87 89.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.0 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -100.68 117.58 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.556 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -144.26 125.0 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.954 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.658 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.5 ttp180 -76.16 39.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.841 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.5 t -60.12 168.67 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.349 -179.964 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.597 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.2 ptmt -123.12 120.37 33.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.783 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.47 98.42 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.913 HG12 HG11 ' A' ' 78' ' ' VAL . 6.7 m -101.5 -34.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -116.34 164.76 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.936 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.8 mp0 -150.13 -175.36 5.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.1 ttpt -153.27 113.48 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.482 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 2.7 tt0 -74.93 93.92 2.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.937 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.544 HG13 ' HG2' ' A' ' 27' ' ' LYS . 11.8 m -100.94 80.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.07 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.59 140.97 2.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.516 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.7 t -127.45 30.96 5.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.954 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.71 -170.26 6.45 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.547 1.154 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.549 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.6 m-80 -83.69 164.71 19.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.6 t0 -95.19 -161.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.886 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.768 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.9 -0.0 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -107.09 -1.17 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.59 -7.5 80.76 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.549 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.6 p-10 -79.97 154.06 75.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.99 129.18 12.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 31' ' ' SER . 34.3 mt -73.0 -94.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.482 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 20.4 ttmt 71.18 121.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.653 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -125.04 68.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 -179.951 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.049 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -38.57 145.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.653 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 9.1 mm-40 -87.84 179.55 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 1.002 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.56 68.64 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.6 tt0 -63.34 69.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.841 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.5 pt -66.07 -167.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.65 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.5 ttpt -133.11 13.29 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.65 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.3 tp-100 40.75 109.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.491 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -118.08 -25.9 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -154.01 165.61 35.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.408 ' HG3' ' CG2' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -146.82 64.28 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 111.029 179.961 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 15.8 m-85 -39.94 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.544 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -123.39 73.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.955 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.04 -157.44 9.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.646 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.05 -171.95 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.425 1.75 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -92.73 -34.78 13.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 110.251 -179.996 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.71 -80.44 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.535 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t0 153.67 170.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.649 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.3 mm -102.37 -74.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.541 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 75.05 -8.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.26 179.966 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.584 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -147.54 96.74 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.971 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -106.3 167.61 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.992 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.63 ' CE1' ' OE1' ' A' ' 44' ' ' GLN . 5.6 m-85 -118.52 150.52 39.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.971 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 4.9 t -165.1 -172.69 2.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.463 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.685 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -101.32 147.42 33.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.049 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.05 -160.25 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER 56.61 -171.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -68.87 54.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.96 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.825 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 56.08 96.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.95 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.66 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -103.16 -32.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.695 ' HA ' HD22 ' A' ' 100' ' ' LEU . 14.0 m -133.39 11.63 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 -179.965 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.825 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -151.95 -155.54 7.07 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.893 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.832 HG23 HD12 ' A' ' 104' ' ' ILE . 73.9 t -112.88 -3.76 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 0.8 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.511 ' O ' ' OG ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 35.56 84.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.982 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.061 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.81 128.75 53.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.571 ' C ' ' H ' ' A' ' 79' ' ' GLY . 0.1 OUTLIER -115.55 -9.0 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.96 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.958 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.8 t 74.01 -18.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.571 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -72.8 -9.75 75.63 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.493 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -131.65 -31.25 0.51 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.554 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -96.95 -99.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.958 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.59 -68.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -157.84 163.23 38.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.113 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.8 p90 -147.14 151.79 37.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.816 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -82.42 2.72 31.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.167 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.113 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.95 99.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.037 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.39 106.35 9.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.539 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.68 172.51 23.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.682 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 3.1 tttm -45.79 -31.11 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 82.43 179.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.591 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -131.08 -37.49 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 171.48 -132.39 2.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.13 134.93 54.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.94 1.89 75.08 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -173.16 139.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 0.778 . . . . 0.0 109.342 179.92 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.829 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -139.85 -160.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 -179.995 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.2 125.87 22.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.187 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.014 HD12 HG13 ' A' ' 86' ' ' ILE . 2.5 pt -139.66 139.98 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -138.62 165.15 27.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.132 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.695 HD22 ' HA ' ' A' ' 72' ' ' CYS . 1.2 pt? -58.51 -46.23 87.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 1.7 t -62.32 -32.6 73.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 108.327 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.426 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.0 t0 -73.99 165.49 25.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.037 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.59 116.39 10.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 111.063 179.999 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.832 HD12 HG23 ' A' ' 74' ' ' VAL . 7.0 pt -163.36 134.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.558 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.05 157.15 32.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.589 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.6 Cg_endo -74.94 10.47 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.816 ' HD1' HD12 ' A' ' 85' ' ' LEU . 1.8 t90 72.24 -59.77 0.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 107.977 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.629 ' O ' HG23 ' A' ' 109' ' ' THR . 67.2 t0 -68.33 51.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.671 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.4 p -158.72 -56.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.018 HD22 ' HB3' ' A' ' 114' ' ' GLN . 72.0 mt 13.31 -106.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.66 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 145.54 -41.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.11 -63.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.392 179.935 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.624 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 16.7 m -51.54 -23.19 3.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.183 . . . . 0.0 110.454 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.018 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -85.97 -37.96 18.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 110.346 -179.979 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.557 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -65.95 -42.11 90.41 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.624 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -60.11 -21.27 61.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.937 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.648 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.54 -12.24 35.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.055 179.982 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.595 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -85.43 -5.35 59.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.922 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.542 ' C ' ' OD1' ' A' ' 119' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.457 ' O ' HD11 ' A' ' 100' ' ' LEU . 1.7 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -99.86 115.14 65.82 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 89.03 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.726 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.1 p -112.81 -132.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.726 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.7 OUTLIER 35.83 82.82 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.581 179.966 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.546 ' O ' HG22 ' A' ' 113' ' ' THR . 18.1 Cg_endo -75.03 8.63 2.34 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.9 OUTLIER -142.0 -45.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.644 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -61.68 -8.59 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.811 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.67 -34.04 30.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -91.01 6.73 43.63 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.8 m -116.57 -10.18 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.968 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.644 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -103.4 -38.79 7.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.672 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -52.82 167.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -149.27 15.39 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 17' ' ' VAL . 12.2 p -164.96 82.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.013 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.08 120.52 45.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.702 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.8 pt -145.45 125.09 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.701 ' HD2' HD11 ' A' ' 50' ' ' ILE . 2.6 ttm180 -77.49 41.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.954 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.861 ' CG2' HD12 ' A' ' 47' ' ' ILE . 1.4 t -64.32 173.05 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 11.7 ptmt -125.06 119.43 28.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.89 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -95.37 101.02 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.031 HG12 HG11 ' A' ' 78' ' ' VAL . 17.0 m -106.94 -35.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.3 t -111.78 159.23 18.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 110.016 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.0 mp0 -146.76 -179.13 6.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.685 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.3 ttpt -148.24 116.12 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 15.4 tt0 -76.04 98.23 4.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 29' ' ' VAL . 30.8 m -113.11 103.55 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.941 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.25 156.49 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.489 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.5 t -138.2 15.5 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.13 179.75 50.76 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.54 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.4 m120 -83.44 162.3 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.79 . . . . 0.0 109.378 179.93 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.7 t0 -94.69 -161.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.78 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.19 1.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.39 -1.22 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.37 -8.55 76.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.571 1.169 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.54 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.1 p-10 -79.21 153.57 76.99 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.08 130.26 13.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.489 HG21 ' OG ' ' A' ' 31' ' ' SER . 87.0 mt -69.06 -82.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HG2' ' HG3' ' A' ' 67' ' ' PRO . 15.2 ttmm 70.98 128.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.63 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -133.24 65.6 1.58 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.596 1.185 . . . . 0.0 110.284 -179.962 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.914 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -36.63 151.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.685 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.4 mm-40 -92.02 177.61 6.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.977 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -134.65 67.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 -179.965 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 8.6 tt0 -63.12 69.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.292 -179.924 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.89 HG22 ' CA ' ' A' ' 23' ' ' ALA . 2.3 pt -66.77 -171.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.4 OUTLIER -125.83 0.27 7.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER 52.01 114.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.701 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -124.6 -31.15 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -147.93 161.57 41.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.557 ' HA ' HG22 ' A' ' 19' ' ' ILE . 12.4 ptt? -145.23 71.28 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.008 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 21.8 m-85 -42.78 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.62 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -126.83 73.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.52 -159.07 9.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.471 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.0 Cg_endo -75.05 179.45 6.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.54 -34.54 35.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 -179.968 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.11 -80.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.8 t70 153.68 171.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.962 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.643 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.6 mm -97.24 -72.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.557 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.09 -8.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.959 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -148.03 99.0 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.068 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.31 170.21 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.593 ' CE2' ' OE1' ' A' ' 44' ' ' GLN . 6.0 m-85 -124.54 147.67 48.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.809 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 10.1 t -164.98 -164.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.485 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -99.81 155.04 36.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.914 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -74.98 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.541 1.811 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.61 -176.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.75 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 41.6 t -46.33 -41.99 14.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 155.24 114.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.613 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -118.62 -46.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.672 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 4.2 m -114.95 10.19 16.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.36 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.646 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -155.32 -153.47 6.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.836 HG23 ' CD1' ' A' ' 104' ' ' ILE . 93.6 t -116.31 -4.08 11.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 34.92 86.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.994 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.044 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.85 131.25 51.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.578 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -111.16 -10.09 14.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.04 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.1 t 75.79 -45.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -55.84 -9.66 2.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.484 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -122.37 -28.24 1.51 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.524 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -108.51 -96.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.04 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 167.81 -75.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 16.0 mp0 -154.48 154.79 33.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.156 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.9 p90 -134.49 154.27 51.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.722 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.33 3.21 36.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.156 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.42 99.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 -179.941 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.013 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -122.7 108.92 13.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.583 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.14 179.59 19.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.559 1.162 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.1 mtpp -54.24 -30.45 50.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.39 178.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.525 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.0 tp10 -137.37 -42.96 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.595 ' O ' ' O ' ' A' ' 95' ' ' LYS . . . 165.37 126.89 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.593 ' C ' ' O ' ' A' ' 92' ' ' GLY . 1.5 m-20 -24.84 134.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 86.05 -3.92 86.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.454 1.096 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.643 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -176.54 140.83 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.702 ' HE3' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.3 -170.01 3.4 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.568 1.167 . . . . 0.0 111.08 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 128.21 44.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.608 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.068 HD13 HG21 ' A' ' 63' ' ' ILE . 2.1 pt -140.33 142.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -140.02 170.58 15.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.555 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.6 OUTLIER -65.21 -44.23 89.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.935 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.481 ' H ' HD23 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -64.99 -22.27 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.957 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -84.69 167.86 15.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.957 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -72.36 117.21 13.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.586 1.179 . . . . 0.0 110.989 -179.964 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.836 ' CD1' HG23 ' A' ' 74' ' ' VAL . 7.2 pt -163.13 134.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.644 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.04 156.88 30.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.64 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.03 12.1 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.558 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.8 t90 70.36 -61.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.619 ' O ' HG23 ' A' ' 109' ' ' THR . 15.4 t70 -69.49 51.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 179.955 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.3 p -157.36 -57.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 -179.937 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.914 HD22 ' HB3' ' A' ' 114' ' ' GLN . 40.0 mt 9.87 -105.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.624 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.9 m 149.3 -42.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.024 -179.997 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.563 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.73 -67.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.427 1.079 . . . . 0.0 110.471 -179.99 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.552 ' N ' HG22 ' A' ' 112' ' ' THR . 1.4 m -49.68 -26.21 3.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.949 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.914 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -80.01 -37.11 34.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.635 ' HA ' HD23 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -68.41 -46.68 69.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.983 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.474 ' O ' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -62.19 -17.32 57.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.506 ' HB3' ' CB ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -102.34 -21.45 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.05 179.935 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.008 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -90.91 -16.69 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 116' ' ' LYS . 46.9 p30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.681 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.8 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.3 p -141.0 114.86 7.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.442 ' CB ' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.05 73.35 4.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.737 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.2 p -83.31 -133.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.737 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 33.41 91.85 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.597 179.974 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HB2' ' NE2' ' A' ' 114' ' ' GLN . 18.5 Cg_endo -74.96 1.08 8.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' HB2' HG22 ' A' ' 113' ' ' THR . 6.2 tp-100 -137.46 -41.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.556 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.29 -9.41 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.739 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.79 -33.64 27.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.869 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -91.05 3.8 53.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.388 1.055 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -112.67 -10.96 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 108.253 -179.966 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.47 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -102.12 -41.78 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.548 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -52.68 173.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 88' ' ' GLY . 4.4 m-20 -153.17 16.75 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.403 1.064 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 17' ' ' VAL . 14.0 p -164.45 83.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.038 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -97.27 119.56 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.595 HG22 ' HA ' ' A' ' 52' ' ' MET . 1.1 pt -146.6 124.06 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.62 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 13.6 ttp180 -76.1 41.33 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.915 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.5 t -62.42 170.2 2.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 110.435 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.9 ptmt -123.76 118.76 27.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.088 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.787 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.78 96.31 10.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.635 ' CG1' HG11 ' A' ' 78' ' ' VAL . 11.2 m -101.09 -34.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.507 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -115.53 163.78 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.8 mp0 -150.64 -179.18 7.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.7 ttpt -145.0 111.85 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.963 ' HG3' HD11 ' A' ' 43' ' ' ILE . 17.7 tt0 -73.26 94.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.437 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 23.2 m -111.59 122.69 66.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.249 -179.935 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.404 ' CG ' ' HZ1' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -71.96 155.93 39.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.999 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.525 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.0 t -137.86 23.73 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' ILE . . . 76.41 -179.51 48.44 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.9 m-20 -84.5 163.89 19.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.9 t0 -96.12 -161.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.782 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.95 0.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -109.19 -0.22 19.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.34 -9.5 72.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -77.35 153.72 81.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.52 0.776 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.01 129.94 12.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.548 1.815 . . . . 0.0 110.969 -179.942 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 31' ' ' SER . 55.9 mt -66.08 -86.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 18.5 ttmm 74.55 128.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.994 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.694 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -131.18 65.36 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 110.257 -179.915 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.971 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -35.77 142.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.694 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.7 mm-40 -84.59 178.01 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.894 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.58 68.22 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.4 tt0 -62.83 69.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.915 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.0 pt -65.79 -168.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.655 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -131.82 14.39 4.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.655 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.3 tp-100 38.14 107.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.202 179.915 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.53 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -116.93 -27.62 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.957 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 19' ' ' ILE . 1.8 tttt -150.7 165.16 34.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.595 ' HA ' HG22 ' A' ' 19' ' ' ILE . 3.2 ptp -146.21 66.44 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.653 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 17.0 m-85 -42.61 -79.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.601 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -124.37 73.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.08 -157.45 9.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -74.96 -173.99 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.12 -35.33 21.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -84.5 -78.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.363 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 153.94 171.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.788 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.5 mm -97.58 -71.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.539 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 3.1 mt-10 73.19 -8.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.0 m-85 -144.97 95.98 2.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.001 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -102.22 167.0 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.643 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.7 m-85 -123.48 145.39 48.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 111.07 179.922 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.77 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.7 t -161.57 -167.54 1.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.438 179.981 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.534 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -103.8 150.94 38.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.971 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -159.94 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.051 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.433 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.56 -159.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.045 -179.981 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.702 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 28.4 t -82.06 29.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.72 ' HB2' ' HB2' ' A' ' 75' ' ' SER . . . 86.85 96.46 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.501 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -102.52 -36.6 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 99' ' ' THR . 48.0 m -132.69 22.92 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 108.275 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.636 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -158.06 -159.08 9.35 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.961 HG23 HD12 ' A' ' 104' ' ' ILE . 78.9 t -111.84 0.02 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.72 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 28.2 81.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 180.0 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.948 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.62 129.44 49.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.242 -179.915 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.567 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -106.43 -7.83 17.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.917 HG22 ' O ' ' A' ' 82' ' ' LYS . 2.5 t 69.83 -52.7 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.7 -15.62 0.16 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.488 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.35 -30.0 1.81 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.567 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -102.21 -94.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.917 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.99 -85.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.934 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.59 ' O ' ' O ' ' A' ' 106' ' ' PRO . 8.1 mp0 -151.12 149.82 29.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.162 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -127.04 154.12 45.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.827 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -85.23 5.41 30.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.943 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.162 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 8.4 102.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.048 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.36 109.71 13.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.569 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.0 -178.15 16.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.076 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 35.2 mtmt -60.24 -14.6 18.7 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.491 0.76 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.586 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 71.13 -177.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.528 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 12.7 tp10 -128.95 -41.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.534 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.14 55.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.534 ' O ' ' O ' ' A' ' 92' ' ' GLY . 1.3 m-20 54.69 155.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.59 0.818 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 63.53 -4.08 1.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.788 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -179.71 143.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.697 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -147.41 -171.47 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.932 -179.977 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.62 128.04 44.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.543 -179.942 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.001 HD13 HG21 ' A' ' 63' ' ' ILE . 6.3 pt -138.43 137.9 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.658 ' O ' HD11 ' A' ' 104' ' ' ILE . 5.0 p -139.42 163.17 33.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.397 179.936 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.681 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -63.66 -22.54 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.33 -24.45 29.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.441 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.9 t0 -87.27 172.78 9.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.048 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -72.5 118.54 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.961 -179.965 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.961 HD12 HG23 ' A' ' 74' ' ' VAL . 5.9 pt -164.89 136.99 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.557 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -157.94 156.53 28.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.59 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.4 Cg_endo -75.03 9.98 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.827 ' HD1' HD12 ' A' ' 85' ' ' LEU . 2.0 t90 71.84 -58.28 0.59 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 108.051 -179.961 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 109' ' ' THR . 51.6 t0 -68.57 51.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 10.8 p -159.16 -51.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.932 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.007 HD22 ' HB3' ' A' ' 114' ' ' GLN . 53.2 mt 5.88 -106.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.665 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.2 m 143.83 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 -179.944 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.611 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.88 -61.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.987 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.576 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.0 m -51.53 -23.71 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.007 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -87.46 -37.64 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.972 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.627 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.2 mtmt -67.31 -39.88 85.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.576 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.15 -14.08 33.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.591 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.86 -10.53 22.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 110.005 -179.988 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.653 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -86.46 2.42 47.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.364 -179.981 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -179.969 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.42 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 95.0 p -90.07 125.45 60.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.456 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.0 Cg_endo -75.06 96.23 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.449 1.763 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.74 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -119.57 -132.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.74 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 38.45 82.01 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.59 -180.0 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 1.72 7.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.399 1.736 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.503 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.0 OUTLIER -135.94 -43.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.956 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.432 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -65.33 -6.37 9.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.765 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.2 -34.22 23.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.893 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.7 OUTLIER -92.49 9.53 34.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m -119.42 -10.1 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.075 . . . . 0.0 108.325 -179.959 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.423 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.6 OUTLIER -104.48 -40.02 6.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.544 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.35 173.74 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -152.88 16.71 0.57 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.74 HG23 ' HD3' ' A' ' 56' ' ' PRO . 12.0 p -165.82 84.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.065 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -97.9 116.72 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.922 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.633 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -142.18 126.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.652 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.8 mtm180 -78.36 38.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.974 HG21 HD12 ' A' ' 47' ' ' ILE . 2.6 t -60.72 171.96 1.04 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 16.1 ptmt -124.47 119.48 29.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.861 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.6 99.05 11.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.567 ' CG1' HG11 ' A' ' 78' ' ' VAL . 8.6 m -103.49 -35.33 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.521 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.5 t -113.97 163.12 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.606 1.191 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -145.38 -174.1 4.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.96 119.05 5.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -78.4 93.51 4.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' HG2' ' A' ' 27' ' ' LYS . 12.2 m -102.75 99.69 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.536 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -49.7 147.56 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.653 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -133.86 16.12 3.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.29 -174.63 37.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.9 m-20 -83.7 165.19 19.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 0.786 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.2 t0 -95.63 -161.16 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.765 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -81.51 0.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -108.46 -1.19 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.2 -8.75 77.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.3 p-10 -78.58 154.96 78.83 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.08 129.26 12.11 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.653 HG21 ' OG ' ' A' ' 31' ' ' SER . 48.1 mt -70.21 -83.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.542 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.21 122.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.588 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 3.2 ptt180 -130.87 71.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.414 1.071 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.817 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -43.57 149.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.0 mm-40 -89.45 -175.3 4.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.881 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.26 69.36 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.984 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.521 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.5 tt0 -62.7 68.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.974 HD12 HG21 ' A' ' 21' ' ' THR . 3.1 pt -67.48 -175.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.377 179.931 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 49' ' ' GLN . 1.6 ttpt -119.39 -5.1 10.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.516 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 15.4 mm100 53.55 109.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.527 HD13 ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -119.21 -33.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.47 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -144.92 160.72 40.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.489 ' O ' ' CG ' ' A' ' 52' ' ' MET . 2.0 ptt? -141.58 69.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.108 ' CE2' HD22 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -36.46 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 111.026 179.964 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 18' ' ' VAL . 3.7 tptt -128.1 73.85 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -122.89 -166.15 12.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.383 1.052 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.74 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.01 -172.29 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.88 -32.31 13.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.65 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -72.58 -77.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.397 1.06 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.65 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.7 t70 144.32 163.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 -179.906 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.864 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -105.22 -77.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.512 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 73.77 -7.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 110.284 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -143.99 98.85 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 179.992 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.017 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -103.85 172.44 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -122.93 156.04 35.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 111.059 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.874 HG21 ' CE2' ' A' ' 45' ' ' TYR . 4.9 t -176.63 -170.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.451 -179.949 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.506 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -88.16 155.48 52.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.817 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.6 Cg_endo -74.91 -60.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 111.044 179.952 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.535 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.5 OUTLIER -41.76 170.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.71 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 13.6 p -35.68 -40.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.782 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 159.43 89.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.672 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -96.82 -38.84 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.845 ' O ' HG22 ' A' ' 99' ' ' THR . 15.3 m -129.55 25.39 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 108.211 -179.888 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.782 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -165.21 -158.15 10.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.088 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.958 HG23 HD12 ' A' ' 104' ' ' ILE . 64.3 t -114.97 -11.92 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.489 ' CA ' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 38.23 80.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.954 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.47 131.04 49.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.507 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.6 p30 -104.17 -7.75 19.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 82' ' ' LYS . 3.3 t 70.13 -52.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.84 -11.95 0.4 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -120.25 -23.65 2.88 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -110.66 -92.0 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 109.366 179.913 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.73 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.33 -86.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.57 ' O ' ' O ' ' A' ' 106' ' ' PRO . 8.0 mp0 -150.96 147.33 27.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.17 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.8 p90 -124.64 154.88 40.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.746 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.67 4.19 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.933 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.17 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.08 102.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.065 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -128.48 108.98 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.569 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.11 174.04 23.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.642 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -44.19 -34.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.78 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.654 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 81.16 176.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.518 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.1 tp10 -134.31 5.3 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.24 -119.31 2.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.92 142.88 49.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 77.4 -1.49 65.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.83 137.99 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 109.329 -179.971 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.864 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -142.81 -168.82 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.909 -179.964 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.85 130.83 45.75 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 0.0 109.551 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.017 HD13 HG21 ' A' ' 63' ' ' ILE . 14.1 pt -142.27 137.2 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -135.3 160.96 36.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 110.466 179.995 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.709 HD23 ' H ' ' A' ' 101' ' ' CYS . 1.4 pt? -54.83 -49.02 72.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.709 ' H ' HD23 ' A' ' 100' ' ' LEU . 6.7 t -60.77 -31.32 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 108.324 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.46 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.6 t0 -73.9 166.99 22.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.038 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -70.83 118.07 13.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 179.983 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.958 HD12 HG23 ' A' ' 74' ' ' VAL . 4.0 pt -165.66 135.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.632 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.44 155.82 29.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.581 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.0 11.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.573 1.828 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.643 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 11.0 t90 71.02 -59.09 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.652 ' O ' HG23 ' A' ' 109' ' ' THR . 21.2 t0 -68.81 51.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.684 ' O ' ' C ' ' A' ' 110' ' ' LEU . 6.5 p -159.19 -54.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.022 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.2 mt 8.66 -107.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.9 m 145.94 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.613 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.68 -64.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.17 . . . . 0.0 110.433 179.989 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.533 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 18.4 m -48.15 -22.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.022 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -89.12 -36.15 15.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.965 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 1.052 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -68.27 -39.03 82.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.533 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.58 -24.91 66.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -88.84 -11.91 43.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.958 -179.943 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.108 HD22 ' CE2' ' A' ' 53' ' ' PHE . 10.8 mt -84.65 -0.4 53.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.986 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 101' ' ' CYS . 1.6 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.7 p -121.34 107.2 37.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 179.982 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 126.82 10.17 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.762 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -153.77 -134.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.762 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 32.28 85.38 0.15 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.075 . . . . 0.0 109.599 179.985 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.46 4.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.567 1.825 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' OE1' ' HE2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -137.83 -45.06 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -63.06 -7.21 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.86 -33.2 27.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.877 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -92.58 7.84 41.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.967 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.9 -8.66 10.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 108.271 179.98 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.458 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -105.45 -39.22 6.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.943 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.597 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.77 171.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -151.43 16.52 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.791 HG23 ' HD3' ' A' ' 56' ' ' PRO . 11.2 p -164.95 84.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.006 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -98.05 119.27 45.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.955 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.604 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.0 OUTLIER -145.74 125.46 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.245 -179.992 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.674 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.0 mtp180 -77.58 41.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 110.351 179.958 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.931 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.3 t -63.35 169.93 3.35 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.96 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 15.1 ptmt -124.02 120.64 33.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.882 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.11 105.38 17.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.896 HG12 HG11 ' A' ' 78' ' ' VAL . 3.8 m -108.89 -37.45 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.52 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -111.83 164.29 13.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.9 mp0 -149.84 -177.98 6.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.9 ttpt -148.52 111.94 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.676 ' HG3' HD11 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -74.37 93.52 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 29' ' ' VAL . 32.6 m -109.0 101.84 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.462 ' CG ' ' HZ3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -56.63 151.28 14.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.963 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.9 t -132.8 24.01 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 72.44 -177.07 40.83 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.2 m-80 -84.67 163.51 19.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.376 0.692 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.7 t0 -95.11 -161.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -81.2 -0.46 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.228 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -107.18 -1.37 21.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.09 -8.65 77.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.43 1.081 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -78.14 152.37 79.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 0.793 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.98 128.21 11.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.436 HG21 ' OG ' ' A' ' 31' ' ' SER . 24.4 mt -66.75 -89.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.503 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 20.6 ttmm 73.02 126.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.67 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -129.96 66.44 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.984 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.004 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -37.2 143.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.67 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.9 mm-40 -85.22 178.82 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.205 -179.883 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.971 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.23 67.68 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.063 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.52 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.5 tt0 -62.51 69.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.931 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.4 pt -67.56 -174.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 49' ' ' GLN . 10.0 ttpt -120.58 -3.78 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.494 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 14.2 mm100 52.95 111.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 179.94 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.432 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -119.5 -33.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.544 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -144.87 162.27 37.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.51 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -142.36 66.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.954 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 1.11 ' CE2' HD22 ' A' ' 118' ' ' LEU . 1.1 m-85 -35.0 -80.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.566 ' C ' ' HD2' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -127.93 73.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 17' ' ' VAL . . . -121.21 -161.35 11.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.791 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.96 -173.56 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.558 1.82 . . . . 0.0 110.999 179.947 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -91.74 -33.37 15.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.598 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.53 -85.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.944 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.598 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.5 t70 158.53 166.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.591 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -106.69 -80.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.237 -179.997 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.2 mt-10 72.85 -8.18 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.567 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -141.85 91.58 2.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.936 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -99.86 172.07 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.643 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 8.8 m-85 -123.76 157.99 32.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.88 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.8 t -172.26 -168.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.1 150.8 39.2 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.004 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.02 -159.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 55.9 -170.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 0.0 109.969 179.991 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.9 p -69.33 54.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.746 ' HB2' ' OG ' ' A' ' 75' ' ' SER . . . 56.12 100.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.536 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -109.13 -38.69 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.762 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 19.9 m -124.69 18.87 8.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.986 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.6 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -158.81 -158.09 8.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.05 HG23 HD12 ' A' ' 104' ' ' ILE . 21.9 t -111.37 2.3 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.746 ' OG ' ' HB2' ' A' ' 70' ' ' ALA . 86.3 p 29.91 84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.061 -179.954 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.156 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.59 133.89 49.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.482 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -123.38 0.24 8.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.03 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.56 -54.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.173 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.64 -12.44 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -118.77 -32.14 1.35 Allowed Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.527 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -108.4 -94.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 0.765 . . . . 0.0 109.375 179.91 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 1.03 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.25 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.532 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -154.94 162.73 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.156 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.5 p90 -147.72 152.29 37.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.746 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.33 4.07 28.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.143 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.77 100.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.398 -179.958 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.041 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.24 107.3 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.238 -179.906 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.698 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.35 168.35 26.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.574 1.171 . . . . 0.0 110.961 179.942 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.687 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.8 tttm -39.41 -34.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.31 175.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.543 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 10.5 tp10 -131.53 1.56 4.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.84 -123.2 3.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.75 142.69 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 80.43 -6.8 59.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.591 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -173.11 145.53 1.35 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.694 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.24 -169.75 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.981 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.69 131.11 51.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 -179.972 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.936 HD13 HG21 ' A' ' 63' ' ' ILE . 12.3 pt -141.57 136.11 31.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.713 ' O ' HD11 ' A' ' 104' ' ' ILE . 5.5 p -135.18 159.07 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.497 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -59.5 -25.93 64.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -78.54 -33.93 47.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.997 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.431 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.0 t0 -76.69 171.67 14.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.041 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -71.76 119.17 15.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.939 -179.972 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.05 HD12 HG23 ' A' ' 74' ' ' VAL . 4.2 pt -165.43 136.81 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.677 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.88 156.79 30.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.951 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.634 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.98 11.44 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.674 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 14.4 t90 71.62 -61.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 107.981 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.67 ' O ' HG23 ' A' ' 109' ' ' THR . 24.7 t0 -69.74 52.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.695 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.9 p -158.83 -52.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.024 HD22 ' HB3' ' A' ' 114' ' ' GLN . 45.7 mt 5.77 -106.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.889 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.645 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 147.03 -42.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 159.88 -63.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.925 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.517 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 21.2 m -50.16 -21.53 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.024 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -89.1 -36.05 15.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.906 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -68.75 -39.83 80.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.62 -20.45 63.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.55 -11.14 32.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.038 -179.995 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.11 HD22 ' CE2' ' A' ' 53' ' ' PHE . 3.8 mt -88.15 1.17 54.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.965 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.757 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.8 p -132.71 127.94 20.66 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.0 Cg_endo -75.06 109.02 2.85 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.468 1.772 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.755 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.7 p -129.42 -134.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.755 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 33.98 91.01 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.606 179.959 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.458 ' CB ' ' NE2' ' A' ' 114' ' ' GLN . 18.1 Cg_endo -74.99 -7.81 19.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.646 ' NE2' ' HE3' ' A' ' 116' ' ' LYS . 1.5 tt0 -134.91 -44.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.7 mt-30 -58.06 -11.53 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.82 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.38 -36.53 26.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.886 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -87.01 -2.73 58.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.929 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -106.44 -15.52 14.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.248 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.65 -38.73 10.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.992 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.623 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.65 170.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 88' ' ' GLY . 15.5 m-20 -152.84 17.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.622 HG23 ' HD3' ' A' ' 56' ' ' PRO . 7.1 p -166.3 81.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.016 HG13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.48 120.62 44.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.525 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.8 OUTLIER -143.76 127.62 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.71 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 23.1 mtp180 -77.74 36.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.856 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.7 t -58.8 168.7 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.4 ptmt -126.43 118.91 25.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.847 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -90.55 104.12 16.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.799 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.4 m -106.16 -34.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.923 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.568 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.3 t -109.36 169.95 8.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 110.057 179.908 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.577 ' CG ' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -154.61 151.38 28.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.253 -179.989 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.711 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.5 ttpt -124.46 105.26 9.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 2.1 tt0 -72.6 92.41 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.936 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.43 HG13 ' HG2' ' A' ' 27' ' ' LYS . 32.7 m -106.03 126.13 61.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.481 ' CG ' ' HZ1' ' A' ' 41' ' ' LYS . 1.7 m-20 -69.66 161.06 30.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.429 ' O ' HD12 ' A' ' 40' ' ' ILE . 6.9 t -145.28 17.68 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.92 177.48 49.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.589 1.18 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.52 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.7 m120 -84.25 162.57 20.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.3 t0 -93.97 -162.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.54 0.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -108.16 -1.16 20.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.7 -8.76 76.49 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.52 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.5 p-10 -78.83 153.22 77.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.06 129.57 12.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 31' ' ' SER . 43.3 mt -63.8 -80.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.66 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 10.7 tppt? 70.62 124.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.643 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.38 64.41 1.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.951 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -35.13 144.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.711 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mm-40 -89.34 -179.95 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 1.05 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.6 OUTLIER -136.49 69.43 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.568 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.1 tt0 -64.74 68.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.917 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 1.013 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.4 pt -64.82 -171.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -124.51 1.91 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.383 179.953 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.501 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 53.17 113.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.536 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -121.91 -33.34 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.511 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -151.98 166.0 32.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.935 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.424 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.82 72.07 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.986 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.71 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 2.5 m-85 -43.79 -72.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -131.65 160.82 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 130.65 -139.65 11.12 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.14 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.728 ' HG3' HD11 ' A' ' 60' ' ' ILE . 18.5 Cg_endo -74.96 -165.17 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.454 1.765 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -108.25 -34.53 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.65 -85.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.9 t70 160.22 163.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.013 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -120.21 72.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.483 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -71.52 -4.56 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.555 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 5.6 m-85 -134.42 91.58 2.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 179.939 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.963 HG21 HD13 ' A' ' 98' ' ' ILE . 0.5 OUTLIER -97.81 169.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 7.8 m-85 -123.64 154.44 39.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 1.05 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.7 t -168.55 -161.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.661 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -107.84 152.74 41.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.951 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.04 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.454 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.3 OUTLIER 63.26 -162.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 179.987 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.714 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 30.4 t -82.4 33.88 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 86.58 90.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.351 -179.943 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.76 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -101.54 -28.71 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.76 ' SG ' HG23 ' A' ' 71' ' ' VAL . 10.8 m -138.29 16.49 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.592 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -153.76 -151.88 5.89 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.932 HG23 HD12 ' A' ' 104' ' ' ILE . 82.9 t -118.62 -0.76 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 74' ' ' VAL . 84.2 p 31.67 87.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 179.949 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.107 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -106.32 130.99 54.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.567 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -119.41 -8.1 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.383 179.938 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.968 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.6 t 74.02 -15.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -77.39 -9.97 86.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.481 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -130.33 -33.4 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.527 ' HZ1' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -97.01 -101.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.968 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.63 -71.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.516 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -153.98 159.04 41.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 1.107 ' CE2' HD13 ' A' ' 76' ' ' LEU . 4.4 p90 -144.35 151.51 39.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.692 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.73 3.01 30.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.21 -179.907 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.1 HD13 ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.64 105.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.957 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.02 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.4 112.39 13.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.591 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.07 179.2 19.2 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.414 1.071 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.727 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 13.4 tttt -57.21 -28.28 62.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 0.821 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 86.65 173.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.573 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 4.5 tt0 -122.14 -39.26 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.227 -179.946 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.14 52.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.159 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.612 ' C ' ' H ' ' A' ' 95' ' ' LYS . 1.5 t0 56.34 157.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.523 ' H ' HD13 ' A' ' 60' ' ' ILE . . . 66.83 -14.7 0.37 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.565 1.166 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.64 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.14 139.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.609 0.829 . . . . 0.0 109.246 -179.924 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.946 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -140.29 -172.27 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.939 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 120.64 32.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.937 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.972 HD12 HG13 ' A' ' 86' ' ' ILE . 4.9 pt -131.8 132.61 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -132.73 163.9 27.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.757 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -55.98 -43.85 77.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.433 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -64.47 -33.23 75.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 108.295 -179.946 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.456 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 2.8 t70 -73.97 168.3 19.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.02 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -72.18 116.03 12.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.932 HD12 HG23 ' A' ' 74' ' ' VAL . 5.6 pt -162.96 132.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.611 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.69 158.79 32.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.647 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 12.14 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.794 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.476 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 19.4 t90 70.57 -62.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.058 -179.928 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.562 ' O ' HG23 ' A' ' 109' ' ' THR . 31.0 t0 -70.6 52.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -156.03 -55.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.975 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.839 HD22 ' HB3' ' A' ' 114' ' ' GLN . 43.8 mt 8.95 -106.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.31 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.937 179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.627 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 157.11 -60.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 -179.962 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.762 HG23 ' HE2' ' A' ' 116' ' ' LYS . 23.0 m -54.52 -25.88 28.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.452 -179.965 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.839 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -82.15 -34.97 28.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.938 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.634 ' HA ' HD23 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -70.13 -45.3 67.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.762 ' HE2' HG23 ' A' ' 113' ' ' THR . 0.0 OUTLIER -63.35 -9.87 13.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.526 ' CB ' HE21 ' A' ' 9' ' ' GLN . 0.2 OUTLIER -107.7 -26.35 10.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.671 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -79.59 -20.32 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.94 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.592 ' C ' ' OD1' ' A' ' 119' ' ' ASN . 4.7 p30 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.419 ' H3 ' ' H ' ' A' ' 2' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.419 ' H ' ' H3 ' ' A' ' 1' ' ' CYS . 1.3 p 52.75 26.32 4.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.445 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -49.98 177.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.349 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -119.57 109.54 38.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.414 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.98 131.37 14.24 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.751 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.2 p -155.05 -133.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.751 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.75 85.58 0.15 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.619 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -74.97 2.53 6.51 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.421 1.748 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.487 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.4 OUTLIER -139.72 -44.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.6 mt-30 -63.87 -5.24 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.795 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.03 -37.64 23.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.882 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.8 m-85 -87.01 -4.74 59.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 1.2 m -103.55 -15.12 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.338 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.28 -41.65 8.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.544 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.92 174.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' OD2' ' CZ ' ' A' ' 122' ' ' TYR . 0.5 OUTLIER -153.44 15.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.826 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 4.3 p -166.46 86.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.09 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.4 t -97.15 117.29 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.589 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -141.43 125.13 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.733 ' HD2' HD11 ' A' ' 50' ' ' ILE . 3.5 ttm180 -78.15 41.46 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.873 HG21 HD12 ' A' ' 47' ' ' ILE . 1.3 t -64.56 171.9 2.99 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HG2' HG22 ' A' ' 50' ' ' ILE . 16.3 ptmt -126.12 120.08 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.878 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -90.89 108.1 19.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.8 ' CG1' HG11 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -110.08 -36.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -115.74 165.02 13.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.041 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.1 mp0 -149.44 -176.42 5.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.4 ttpt -149.7 111.88 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.577 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 3.0 tt0 -74.09 92.08 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.518 HG13 ' HG2' ' A' ' 27' ' ' LYS . 34.0 m -107.68 114.8 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.54 ' N ' ' HZ3' ' A' ' 41' ' ' LYS . 1.6 m-20 -56.76 160.13 3.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.619 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -144.05 16.77 1.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 78.12 177.64 48.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.052 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.499 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m120 -85.0 162.56 19.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.37 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.2 t0 -93.69 -161.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.776 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.63 0.64 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.61 -0.61 20.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.58 -8.36 77.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.499 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.33 152.69 78.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.99 130.27 13.13 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.458 1.767 . . . . 0.0 111.039 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.619 HG21 ' OG ' ' A' ' 31' ' ' SER . 64.3 mt -66.43 -79.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.577 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.1 tppt? 69.52 126.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.666 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -131.41 67.52 1.51 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.993 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -39.14 140.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.666 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 5.8 mm-40 -82.24 -179.76 7.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.363 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.925 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.44 69.12 1.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.945 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.51 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.9 tt0 -64.43 67.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.404 1.065 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.93 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.6 pt -64.61 -174.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 8.5 ttpt -120.47 -5.2 9.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER 56.7 113.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.733 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -123.23 -30.47 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -149.46 160.85 43.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.402 ' HA ' HG22 ' A' ' 19' ' ' ILE . 10.7 ptt? -145.8 70.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 20' ' ' ARG . 37.9 m-85 -44.73 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.651 ' HB3' HG23 ' A' ' 18' ' ' VAL . 9.7 tptt -124.68 158.96 31.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.477 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 129.04 -143.36 14.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.429 1.081 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.546 ' HG3' HD11 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -74.98 -171.17 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -99.49 -33.7 10.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 110.244 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -72.84 -84.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.1 t70 153.61 165.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.378 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.93 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -117.7 74.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.49 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -66.94 -8.93 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.9 m-85 -131.35 91.96 3.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.061 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -96.09 168.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.626 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 7.4 m-85 -122.08 145.78 47.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.856 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.6 t -162.69 -168.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -99.06 154.66 37.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.993 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.02 -161.01 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.549 1.815 . . . . 0.0 111.061 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.3 -169.84 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 110.066 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.757 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 1.9 t -56.19 -36.72 68.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.943 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 151.88 103.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.401 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -105.67 -39.06 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.818 ' O ' HG22 ' A' ' 99' ' ' THR . 15.4 m -132.35 26.75 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.324 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.622 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -162.21 -158.19 9.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.91 HG23 HD12 ' A' ' 104' ' ' ILE . 84.4 t -116.08 -1.41 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER 32.39 84.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 110.041 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.126 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.91 133.37 49.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -121.09 1.8 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.005 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.1 t 71.36 -55.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.403 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -56.84 -10.61 4.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.443 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.44 -18.43 4.5 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.504 ' O ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -125.65 -94.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.005 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.17 -85.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.581 ' O ' ' O ' ' A' ' 106' ' ' PRO . 6.5 mp0 -145.75 156.42 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.145 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.8 p90 -141.63 151.86 43.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.764 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.42 3.39 28.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.145 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.94 105.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.09 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -132.33 112.45 12.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.514 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.43 172.58 26.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.27 -29.01 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.826 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 79.26 176.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.528 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.3 tp10 -137.02 9.91 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.95 -120.58 3.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.443 1.089 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.19 143.05 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.541 ' H ' HD13 ' A' ' 60' ' ' ILE . . . 77.45 -3.67 58.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.589 1.181 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.826 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -172.43 139.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.899 ' CG ' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -144.32 -171.95 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 111.052 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.84 128.48 50.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.061 HD13 HG21 ' A' ' 63' ' ' ILE . 4.6 pt -141.71 133.86 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.818 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -137.36 165.32 26.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.376 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.489 ' N ' ' HA2' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -60.14 -45.8 91.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.479 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -64.62 -15.86 61.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 108.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.455 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 11.0 t0 -93.38 171.26 9.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.058 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -72.69 116.05 12.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.91 HD12 HG23 ' A' ' 74' ' ' VAL . 6.5 pt -165.21 132.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.663 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.77 157.26 32.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.6 Cg_endo -74.94 5.32 4.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.048 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.608 ' CZ3' ' CZ ' ' A' ' 20' ' ' ARG . 5.1 t90 77.6 -57.33 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.593 ' O ' HG23 ' A' ' 109' ' ' THR . 22.7 t70 -70.03 51.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.683 ' O ' ' C ' ' A' ' 110' ' ' LEU . 17.3 p -158.89 -56.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.006 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.9 mt 10.63 -107.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 146.55 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.64 -65.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.367 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 50.8 m -49.8 -27.27 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.006 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -83.19 -31.09 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.601 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -74.36 -42.18 59.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.457 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -62.55 -21.75 65.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.656 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.37 -14.01 29.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.57 HD22 ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -75.66 -23.94 56.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -73.93 -37.74 64.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.595 ' CE1' ' O ' ' A' ' 117' ' ' SER . 0.2 OUTLIER -66.07 142.76 57.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.549 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -57.04 -70.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.611 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.3 OUTLIER -156.51 88.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.502 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 1.5 tt0 65.38 63.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.499 ' HB2' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -70.9 54.46 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 111.04 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 58.02 23.09 50.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.62 ' SG ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -62.85 76.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.052 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -96.07 164.32 12.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 108.318 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.475 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 74.9 p -83.48 116.71 65.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.507 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.02 81.96 2.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.576 1.83 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.767 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.7 p -102.53 -133.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.767 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.5 OUTLIER 40.55 85.15 0.17 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.567 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.8 8.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.517 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.7 OUTLIER -137.13 -46.97 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.501 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -57.53 -10.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.74 -34.48 30.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.883 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -90.43 4.75 50.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.958 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.3 m -113.22 -12.45 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.321 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.501 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -101.57 -38.57 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.64 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.19 169.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.195 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -150.85 16.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.73 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 12.1 p -165.95 82.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.992 HG13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -95.69 120.04 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.683 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.45 126.01 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.676 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 6.4 mtp180 -77.84 42.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.917 HG21 HD12 ' A' ' 47' ' ' ILE . 2.3 t -63.84 175.02 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.374 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.532 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.7 ptmt -128.1 120.16 26.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.852 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.79 104.03 15.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.898 HG12 HG11 ' A' ' 78' ' ' VAL . 3.5 m -107.64 -36.6 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -112.15 162.89 14.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 110.067 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.88 -174.89 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.642 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.8 ttpt -153.07 115.04 4.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.484 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 6.4 tt0 -75.92 91.1 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.544 HG13 ' HG2' ' A' ' 27' ' ' LYS . 23.3 m -102.46 105.85 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.449 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -52.9 151.32 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.603 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.5 t -137.33 22.18 2.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 109.955 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.96 -179.35 31.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.519 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.8 m-20 -84.26 164.39 19.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.74 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.21 -161.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.235 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.768 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.99 0.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -108.27 -0.2 20.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.99 -7.92 78.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -79.2 153.96 77.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.11 129.25 12.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.603 HG21 ' OG ' ' A' ' 31' ' ' SER . 50.7 mt -66.14 -81.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.649 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 11.1 tppt? 71.17 124.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.354 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.651 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.81 65.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.959 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.29 145.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.651 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 8.0 mm-40 -86.57 -178.73 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.98 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.93 67.59 1.42 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 9.8 tt0 -63.02 68.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.917 HD12 HG21 ' A' ' 21' ' ' THR . 2.8 pt -65.24 -176.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.509 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.1 ttpt -122.24 -0.67 9.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.509 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.41 124.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.589 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -132.7 -32.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.396 1.06 . . . . 0.0 109.273 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.569 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -149.92 168.25 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.542 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -147.03 70.25 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.04 ' CE2' HD22 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -39.54 -76.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 110.99 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -130.03 66.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.4 -156.33 9.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.505 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.99 -174.4 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.54 1.811 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.43 -35.76 19.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -82.75 -79.09 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.9 t70 154.82 171.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.629 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.7 mm -96.71 -72.2 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER 74.53 -7.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.252 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.2 m-85 -147.85 98.97 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.077 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -108.5 169.46 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.359 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.631 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.2 m-85 -123.48 148.47 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.89 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.8 t -165.34 -167.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.708 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -98.08 154.59 37.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.959 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.05 -164.0 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 111.065 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.25 -169.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.756 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 24.2 p -54.11 -41.52 68.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 155.35 109.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.62 HG23 ' SG ' ' A' ' 1' ' ' CYS . 0.7 OUTLIER -113.45 -42.11 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.815 ' HA ' HD22 ' A' ' 100' ' ' LEU . 17.8 m -122.26 12.31 10.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.739 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -154.84 -156.22 7.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.837 HG23 HD12 ' A' ' 104' ' ' ILE . 89.0 t -114.74 -3.96 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 35.86 85.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.09 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.71 131.4 50.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 109.264 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.513 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -116.0 -2.86 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.096 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 72.69 -54.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.14 -13.02 0.9 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.551 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.3 -31.36 1.7 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.551 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -109.01 -96.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.257 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.096 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.7 -83.66 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.58 ' O ' ' O ' ' A' ' 106' ' ' PRO . 3.3 mp0 -147.22 152.01 37.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.164 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -134.62 154.48 51.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.713 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.72 3.16 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.164 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.88 102.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.992 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -127.59 110.56 12.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.525 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.56 177.44 22.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.565 1.166 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.624 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -47.48 -31.58 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.73 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 78.6 174.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.3 tp10 -134.4 7.17 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.6 -120.48 3.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.45 146.19 52.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 73.22 0.61 53.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.629 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.84 143.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.697 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.96 -169.15 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 128.24 42.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.077 HD13 HG21 ' A' ' 63' ' ' ILE . 2.3 pt -140.04 142.34 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.513 ' OG1' ' HB2' ' A' ' 102' ' ' ASP . 0.7 OUTLIER -139.44 166.22 25.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.815 HD22 ' HA ' ' A' ' 72' ' ' CYS . 1.1 pt? -61.01 -50.3 73.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.536 ' H ' HD23 ' A' ' 100' ' ' LEU . 6.1 t -61.8 -16.47 50.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.513 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.3 t0 -88.46 167.74 13.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.964 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.68 113.2 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 111.022 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.837 HD12 HG23 ' A' ' 74' ' ' VAL . 7.4 pt -161.85 131.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.692 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -151.96 157.29 34.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.596 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.89 10.29 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.576 1.829 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.676 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 13.4 t90 71.94 -58.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.038 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.663 ' O ' HG23 ' A' ' 109' ' ' THR . 37.9 t70 -69.7 52.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.685 ' O ' ' C ' ' A' ' 110' ' ' LEU . 6.2 p -159.36 -55.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.022 HD22 ' HB3' ' A' ' 114' ' ' GLN . 47.4 mt 8.2 -107.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 147.87 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.052 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.605 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 159.36 -67.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 110.475 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.542 ' N ' HG22 ' A' ' 112' ' ' THR . 5.2 m -47.66 -26.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.022 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -83.23 -32.65 26.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.962 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -72.71 -41.34 65.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.471 ' O ' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.92 -18.55 64.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.3 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.613 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.14 -12.49 30.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.919 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.04 HD22 ' CE2' ' A' ' 53' ' ' PHE . 27.2 mt -75.46 -27.69 59.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.402 ' OD1' ' HA ' ' A' ' 116' ' ' LYS . 4.0 p-10 -91.49 -17.3 25.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.528 ' CG ' ' HB3' ' A' ' 124' ' ' MET . 0.0 OUTLIER -86.74 41.74 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.568 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER 55.13 -98.77 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 110.318 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.596 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 31.6 p90 -148.83 5.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.596 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.2 OUTLIER 171.26 45.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.528 ' HB3' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.48 55.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 61.13 19.13 56.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.952 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.434 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -57.44 -176.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.9 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 59.49 10.77 2.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.63 ' O ' HD11 ' A' ' 100' ' ' LEU . 7.7 t -59.23 171.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 108.327 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -104.06 112.21 65.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.049 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 125.86 9.64 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.465 1.771 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.723 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.4 p -151.05 -131.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.723 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 37.86 84.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.576 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' O ' HG22 ' A' ' 113' ' ' THR . 18.5 Cg_endo -74.91 0.87 8.33 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 113' ' ' THR . 0.4 OUTLIER -137.46 -43.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.9 mt-30 -65.25 -4.96 5.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.789 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.31 -37.07 23.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.857 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.9 m-85 -87.97 2.19 52.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.477 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 2.7 m -111.55 -14.83 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 108.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.53 -39.82 8.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.565 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -55.07 172.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -150.23 14.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.851 HG21 ' SD ' ' A' ' 96' ' ' MET . 10.4 p -165.71 89.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.995 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -100.61 120.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.574 HD11 ' HE2' ' A' ' 96' ' ' MET . 1.0 OUTLIER -145.86 125.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.669 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.8 mtp180 -76.76 37.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.951 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.1 t -60.64 165.93 3.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.485 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 17.7 ptmt -120.8 120.32 35.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.84 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.34 103.53 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.705 ' CG1' HG11 ' A' ' 78' ' ' VAL . 3.5 m -107.31 -34.2 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.527 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -115.77 165.37 13.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -149.44 -174.01 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.338 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.688 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.9 ttpt -155.25 116.89 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 9.7 tt0 -77.56 92.37 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.534 HG13 ' HG2' ' A' ' 27' ' ' LYS . 22.5 m -103.89 119.31 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.87 158.55 15.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.636 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -145.3 19.25 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.957 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 74.7 177.72 39.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.1 m120 -84.73 163.07 19.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.246 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.3 t0 -94.29 -161.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.83 0.68 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -108.58 0.02 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.47 -8.51 74.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -78.54 153.35 78.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 129.85 12.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.539 1.81 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.636 HG21 ' OG ' ' A' ' 31' ' ' SER . 42.9 mt -65.41 -78.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.664 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.3 tppt? 69.47 125.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.654 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -130.67 65.74 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.89 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -35.28 150.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.688 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.7 mm-40 -92.49 178.96 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.902 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.06 69.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 13.5 tt0 -63.48 67.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.951 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -65.94 -173.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.615 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.7 ttmt -122.81 9.57 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.615 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.0 mm100 37.4 103.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.485 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -112.75 -32.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.543 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -145.23 163.6 33.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 52' ' ' MET . 2.1 ptp -144.17 69.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.023 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -36.34 -79.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.952 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.643 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -127.89 73.72 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.01 -162.77 11.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.696 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.02 -175.44 2.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.87 -33.06 14.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.638 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -72.12 -78.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.638 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.2 t70 146.13 165.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.653 HG21 ' CG ' ' A' ' 96' ' ' MET . 0.8 OUTLIER -109.67 -79.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER 76.9 -10.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 1.5 m-85 -141.37 94.04 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.093 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.961 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -99.94 168.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.64 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.2 m-85 -120.7 149.25 42.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.834 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.3 t -163.73 -164.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.399 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.707 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.81 152.61 38.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.89 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.96 -160.05 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 61.78 -161.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.716 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 44.5 t -81.53 30.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 87.63 97.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.596 1.185 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.618 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -107.26 -36.0 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.707 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 8.4 m -124.62 8.8 8.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.617 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -149.55 -153.79 6.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.557 1.16 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.898 HG23 HD12 ' A' ' 104' ' ' ILE . 81.9 t -113.49 -0.6 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.676 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER 30.71 83.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.932 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.143 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.17 141.7 35.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -125.41 0.49 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.705 HG11 ' CG1' ' A' ' 24' ' ' VAL . 3.1 t 68.57 -56.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -49.36 -14.59 0.58 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.452 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -116.07 -24.23 3.96 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.08 -91.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.92 -59.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.4 OUTLIER -172.71 168.02 5.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.241 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.143 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.2 p90 -152.08 153.84 34.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.77 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.54 1.48 41.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.125 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.23 99.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.054 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.23 106.39 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.605 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -139.67 165.7 25.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.608 1.193 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.3 tttm -39.2 -31.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 83.86 179.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.572 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -133.26 -41.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 174.29 -141.44 5.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.577 1.173 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -106.96 129.23 54.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 0.764 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 84.99 -2.36 88.35 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.539 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -170.26 139.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.616 0.833 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.851 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -136.75 -157.66 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -143.05 125.62 15.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.973 HD12 HG13 ' A' ' 86' ' ' ILE . 2.0 pt -139.35 145.49 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.216 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.61 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.7 OUTLIER -141.32 164.42 30.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.63 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -59.89 -41.68 92.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.52 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -66.77 -31.29 71.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 108.3 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.492 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.3 t0 -74.68 167.89 20.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.054 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.1 117.25 12.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.898 HD12 HG23 ' A' ' 74' ' ' VAL . 6.1 pt -164.4 134.36 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.703 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.47 158.16 32.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.6 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.03 10.41 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.669 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 15.9 t90 72.26 -60.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 107.986 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.672 ' O ' HG23 ' A' ' 109' ' ' THR . 16.1 t0 -69.28 53.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.674 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.4 p -159.05 -56.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.977 HD22 ' HB3' ' A' ' 114' ' ' GLN . 55.3 mt 11.13 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.177 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 146.14 -40.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.38 -64.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.47 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 23.1 m -49.84 -27.07 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.977 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -83.42 -33.66 25.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.618 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -72.67 -41.44 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.537 ' HZ1' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -62.43 -20.28 64.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.643 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.37 -13.39 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.023 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 45.4 mt -71.05 -30.03 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -93.27 3.28 55.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.682 ' CD2' ' CB ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -83.43 8.04 15.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.574 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.82 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.825 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 5.0 p90 -166.08 95.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.477 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 2.3 tt0 53.36 56.32 7.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.682 ' CB ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.2 54.08 0.29 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 57.19 26.6 56.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.468 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 0.7 OUTLIER -57.5 -169.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 71' ' ' VAL . 17.4 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.66 33.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.814 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -49.14 168.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.207 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -120.62 124.07 27.76 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.914 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -75.04 118.27 5.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.525 1.803 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.714 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.2 p -139.49 -132.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.714 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 35.89 88.45 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' HG22 ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.02 -5.33 16.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -134.91 -42.61 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.348 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 5.1 mt-30 -63.49 -5.81 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.784 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.16 -38.07 22.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.863 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.8 m-85 -86.42 -2.67 58.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 0.8 OUTLIER -104.64 -17.31 14.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.297 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.6 -37.94 10.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.565 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -57.23 174.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 88' ' ' GLY . 5.2 m-20 -157.1 16.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.871 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 6.3 p -165.69 80.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.363 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.948 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.2 118.75 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.598 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -144.21 123.69 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.625 ' NH1' ' CZ2' ' A' ' 107' ' ' TRP . 6.4 mtm180 -75.67 40.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.8 HG21 HD12 ' A' ' 47' ' ' ILE . 2.0 t -62.3 175.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.568 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.8 ptmt -129.54 120.04 24.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.601 1.188 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.781 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.28 98.6 11.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.403 1.064 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.769 HG12 HG11 ' A' ' 78' ' ' VAL . 3.0 m -99.24 -40.46 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.488 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.0 t -112.03 167.36 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.5 mp0 -148.38 -176.84 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -150.25 114.05 5.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.498 ' HG2' ' HZ2' ' A' ' 41' ' ' LYS . 7.1 tt0 -75.56 93.2 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.539 HG13 ' HG2' ' A' ' 27' ' ' LYS . 21.8 m -103.67 124.78 58.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.14 158.56 30.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.599 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.0 t -146.2 19.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 75.48 178.65 43.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.53 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.4 m-20 -83.98 162.7 20.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.14 -161.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.795 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.4 mp -80.6 0.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.75 0.3 20.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.168 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.3 -8.18 75.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.53 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.9 p-10 -79.34 155.11 76.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.539 0.788 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 129.69 12.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 31' ' ' SER . 54.6 mt -64.23 -79.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.632 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 13.3 tppt? 70.8 123.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.658 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -128.86 64.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.974 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -34.69 148.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.698 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.6 mm-40 -92.02 -178.99 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.957 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.93 69.12 1.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.488 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.6 tt0 -62.08 71.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.8 HD12 HG21 ' A' ' 21' ' ' THR . 1.6 pt -67.15 -169.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -130.29 2.84 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.514 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 52.18 112.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.559 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -122.14 -27.88 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -155.68 166.74 32.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.475 ' HA ' HG22 ' A' ' 19' ' ' ILE . 4.8 ptm -146.12 71.85 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.03 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -41.72 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.37 66.19 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.6 -156.82 10.28 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.602 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.95 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.049 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -92.62 -35.5 13.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -80.89 -80.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 6.1 t0 155.64 170.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.375 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.647 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -101.02 -69.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.177 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.574 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.3 mt-10 71.81 -6.8 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.609 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -150.03 100.34 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.988 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -106.1 166.27 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.633 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 20.1 m-85 -118.01 149.84 40.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.796 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.0 t -165.5 -166.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.14 151.05 39.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.974 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.93 -158.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.476 1.777 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 54.18 -170.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.0 p -70.35 53.56 0.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.574 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 58.58 101.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.242 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.547 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -107.31 -35.1 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.677 ' O ' HG22 ' A' ' 99' ' ' THR . 68.3 m -131.02 17.21 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.352 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.574 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -153.06 -155.61 7.21 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.436 1.085 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.97 HG23 HD12 ' A' ' 104' ' ' ILE . 64.8 t -113.87 0.02 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 74' ' ' VAL . 28.9 p 30.61 81.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.937 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.099 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.02 133.2 48.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.377 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.565 ' C ' ' H ' ' A' ' 79' ' ' GLY . 0.1 OUTLIER -117.21 -10.42 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.034 HG22 ' O ' ' A' ' 82' ' ' LYS . 2.0 t 73.34 -15.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.565 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -76.95 -5.64 84.86 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.529 1.143 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.497 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -133.33 -31.99 0.4 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.557 ' HZ1' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -98.77 -100.87 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.781 . . . . 0.0 109.37 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.034 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 170.04 -75.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.579 ' O ' ' O ' ' A' ' 106' ' ' PRO . 16.4 mp0 -153.07 159.7 42.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.163 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -139.99 154.12 47.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.748 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.54 3.83 34.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.163 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.72 103.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.03 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.34 112.42 13.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.43 -177.83 20.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.603 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 5.6 mttt -52.58 -28.49 21.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.871 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 77.33 174.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.524 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.3 tp10 -134.3 6.73 3.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.85 -119.73 3.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -131.77 144.49 50.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.6 -2.92 61.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.647 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.69 147.29 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.723 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -149.86 -169.5 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.5 131.55 52.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.528 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.988 HD13 HG21 ' A' ' 63' ' ' ILE . 12.6 pt -144.49 137.38 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -138.45 161.22 37.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.431 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.814 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -56.15 -45.41 79.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -63.28 -32.15 73.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.475 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.6 t0 -75.14 169.23 18.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.271 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.03 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -71.9 117.27 13.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.97 HD12 HG23 ' A' ' 74' ' ' VAL . 4.9 pt -165.18 133.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.631 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.02 157.73 31.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.579 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.2 Cg_endo -75.02 8.61 2.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.625 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 13.5 t90 73.61 -58.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 107.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.639 ' O ' HG23 ' A' ' 109' ' ' THR . 12.1 t0 -69.82 51.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.3 p -158.82 -56.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.935 HD22 ' HB3' ' A' ' 114' ' ' GLN . 35.6 mt 9.18 -108.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.3 m 148.12 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.06 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.27 -66.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.515 ' N ' HG22 ' A' ' 112' ' ' THR . 3.5 m -48.91 -25.89 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.935 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -84.14 -33.02 24.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -73.35 -41.5 63.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.421 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -61.85 -19.36 62.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.721 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.31 -5.16 50.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.997 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.03 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 55.4 mt -81.38 -27.66 34.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -98.82 -10.34 23.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.691 ' CD2' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -91.29 32.14 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.625 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 120' ' ' HIS . 2.5 mmt-85 67.43 -105.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.541 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 39.3 p90 -157.19 12.73 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.7 OUTLIER 174.71 52.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.578 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.94 53.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 49.66 21.96 3.74 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.41 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.7 OUTLIER -56.57 -168.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.255 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 168.11 60.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.689 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -98.84 162.05 13.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 108.273 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.467 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 79.1 p -88.9 130.7 43.81 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 110.019 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.444 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.7 Cg_endo -74.87 85.77 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.617 1.851 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.734 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.9 p -104.26 -133.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.734 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.52 86.64 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.591 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.04 -20.9 16.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.569 1.826 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.511 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.4 OUTLIER -120.42 -42.17 2.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.4 mt-30 -63.13 -5.32 3.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.758 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.74 -38.89 20.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.92 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -87.24 3.35 46.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.938 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 1.3 m -112.17 -15.56 13.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 108.249 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.56 -39.74 8.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.554 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.6 173.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -151.34 14.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.799 HG21 ' SD ' ' A' ' 96' ' ' MET . 11.0 p -165.75 89.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.015 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -100.57 116.11 43.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.561 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -141.63 125.8 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.595 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -77.73 42.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.916 HG21 HD12 ' A' ' 47' ' ' ILE . 2.5 t -64.81 175.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HG2' HG22 ' A' ' 50' ' ' ILE . 15.8 ptmt -128.93 120.62 26.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.816 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.26 108.25 19.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.815 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.4 m -111.95 -35.98 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -115.39 164.92 13.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.98 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.7 mp0 -149.8 179.6 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.0 ttpt -144.74 111.78 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.663 ' HG3' HD11 ' A' ' 43' ' ' ILE . 4.0 tt0 -74.04 92.35 2.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.51 HG13 ' HG2' ' A' ' 27' ' ' LYS . 30.0 m -108.78 112.3 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.518 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.1 m-20 -56.59 160.77 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.56 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.5 t -143.74 17.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.973 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.405 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 77.98 176.68 46.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.533 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.2 m120 -84.26 162.41 20.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.744 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -93.92 -161.64 0.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.761 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -80.56 0.4 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -107.91 -1.22 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.7 -8.39 77.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.533 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -78.19 151.71 78.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.556 0.797 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.97 129.06 12.01 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.56 HG21 ' OG ' ' A' ' 31' ' ' SER . 73.0 mt -65.57 -80.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.538 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 17.6 tppt? 68.87 126.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.658 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.49 68.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.957 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.51 141.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.658 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 6.7 mm-40 -83.23 179.77 7.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.354 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.927 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.28 69.63 1.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.0 tt0 -63.62 68.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.916 HD12 HG21 ' A' ' 21' ' ' THR . 3.0 pt -65.26 -173.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.546 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.2 ttpt -125.22 1.52 7.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.546 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 54.94 125.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.622 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -134.32 -34.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.7 tttt -146.67 162.44 38.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 ptm -144.26 65.13 1.3 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.626 ' CE1' HD22 ' A' ' 118' ' ' LEU . 43.6 m-85 -41.82 -80.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -121.16 69.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.8 -160.24 10.24 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.617 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.95 -174.28 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.408 1.741 . . . . 0.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.77 -33.49 14.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -78.44 -80.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.2 t70 151.94 169.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.586 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.3 mm -102.38 -71.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.544 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.3 -8.24 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.608 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -149.36 97.49 2.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.002 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -103.56 170.11 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.708 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -120.87 146.48 46.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 111.032 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.789 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.2 t -161.71 -160.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.351 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.75 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -109.04 153.38 42.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.221 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.957 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.01 -158.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.445 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 59.71 -161.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.995 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.724 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 26.1 t -81.13 30.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.949 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 88.38 94.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.728 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -107.16 -28.13 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.819 ' O ' HG22 ' A' ' 99' ' ' THR . 4.5 m -133.99 12.03 3.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.596 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.63 -153.11 6.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.888 HG23 HD12 ' A' ' 104' ' ' ILE . 78.0 t -114.94 0.33 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 0.776 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 74' ' ' VAL . 32.7 p 33.36 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.122 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.45 135.68 45.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.501 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -124.83 0.46 8.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.055 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.5 t 71.83 -54.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.44 -10.58 2.11 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.438 ' C ' ' HD3' ' A' ' 81' ' ' LYS . . . -119.75 -25.83 2.49 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.493 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -117.23 -94.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.055 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.88 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.8 mp0 -146.78 160.6 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.143 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.1 p90 -146.69 153.43 40.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.802 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.64 2.72 32.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.143 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.94 100.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.045 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.76 108.29 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.513 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.36 172.27 23.92 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.63 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -45.1 -28.73 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 0.813 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 79.29 178.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.583 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.6 tp10 -132.51 -37.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.96 -135.69 3.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' N ' ' HE2' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -111.43 134.26 53.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.13 -5.89 69.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -168.84 144.11 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.746 . . . . 0.0 109.283 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.799 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -141.21 -158.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.708 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -138.99 124.84 19.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.546 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.002 HD13 HG21 ' A' ' 63' ' ' ILE . 1.9 pt -138.82 151.36 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.819 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -148.71 164.3 34.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 110.417 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.689 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER -59.65 -50.73 72.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.637 ' H ' HD23 ' A' ' 100' ' ' LEU . 5.7 t -61.15 -19.25 61.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 108.263 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.42 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 10.0 t0 -86.79 167.86 14.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.045 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.77 115.79 10.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.888 HD12 HG23 ' A' ' 74' ' ' VAL . 6.4 pt -165.09 132.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.654 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.72 156.56 32.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.56 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.13 5.36 4.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.563 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 3.1 t90 78.06 -57.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 107.976 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.599 ' O ' HG23 ' A' ' 109' ' ' THR . 25.9 t0 -69.9 50.65 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 18.1 p -159.08 -57.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.032 HD22 ' HB3' ' A' ' 114' ' ' GLN . 45.0 mt 11.84 -107.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.83 -41.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.589 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.63 -65.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 35.2 m -49.78 -26.41 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.032 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -83.43 -33.08 25.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.633 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -73.25 -41.1 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.372 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.437 ' O ' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.83 -20.28 65.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.64 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.89 -12.83 26.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.977 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.626 HD22 ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -75.1 -28.41 60.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.389 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 120' ' ' HIS . 0.7 OUTLIER -75.48 -34.81 60.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.625 ' CD2' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -65.76 131.47 46.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.569 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -79.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.79 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 8.6 p90 -157.31 95.24 1.46 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.625 ' H ' ' HE2' ' A' ' 120' ' ' HIS . 1.1 tt0 64.01 64.95 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.403 ' HB2' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -71.95 54.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.03 23.36 15.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -168.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.8 OUTLIER 157.01 42.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.094 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.65 176.35 1.17 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.461 1.1 . . . . 0.0 108.37 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.0 p -123.52 113.06 29.18 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 130.73 13.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.73 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.4 p -154.7 -133.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.73 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 35.05 88.59 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.645 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 2.34 6.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.787 . . . . 0.0 110.996 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' HB2' HG22 ' A' ' 113' ' ' THR . 9.9 tp-100 -137.8 -42.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.515 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.61 -7.14 9.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.78 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.2 -32.54 26.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.87 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.4 m-85 -92.0 -3.1 56.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.465 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 5.6 m -105.01 -9.77 17.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 108.282 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -103.75 -41.33 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.579 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.51 173.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER -154.22 16.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.672 HG23 ' HD3' ' A' ' 56' ' ' PRO . 13.7 p -165.6 82.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.982 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -96.01 119.07 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.652 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -144.56 123.78 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.639 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.3 mtp180 -75.07 39.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.863 ' OG1' HD12 ' A' ' 47' ' ' ILE . 1.8 t -60.59 173.51 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.634 ' HG2' HG22 ' A' ' 50' ' ' ILE . 16.2 ptmt -129.18 118.8 22.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.805 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -90.43 103.43 16.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.716 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.2 m -104.72 -35.58 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.174 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.472 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.9 t -117.24 169.43 9.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.044 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.2 mp0 -150.65 -177.43 5.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.9 ttpt -148.79 110.59 4.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' CG ' ' HE3' ' A' ' 41' ' ' LYS . 8.1 tt0 -74.19 90.06 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.554 HG23 ' HG3' ' A' ' 42' ' ' ARG . 34.3 m -103.23 125.29 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.38 160.06 28.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.742 ' O ' HD12 ' A' ' 40' ' ' ILE . 9.4 t -146.22 19.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.59 177.07 46.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.55 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 6.1 m-20 -83.6 163.35 20.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t70 -94.48 -161.6 0.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.82 1.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.54 -1.09 19.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.62 -8.21 78.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.55 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.1 p-10 -79.31 154.86 76.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.09 131.16 13.87 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.456 1.766 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.742 HD12 ' O ' ' A' ' 31' ' ' SER . 96.5 mt -64.74 -81.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.23 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.641 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.7 tppt? 72.96 124.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.674 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -129.84 66.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.006 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -37.61 143.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.674 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.9 mm-40 -86.64 -178.66 6.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.986 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.4 OUTLIER -137.03 66.02 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.8 tt0 -61.29 74.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.863 HD12 ' OG1' ' A' ' 21' ' ' THR . 2.3 pt -69.12 -168.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.579 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -129.98 7.1 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.579 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 49.07 114.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.639 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -122.76 -27.54 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.549 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -156.36 169.13 25.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.478 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -146.7 68.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.119 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -40.19 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.568 1.167 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.562 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -129.79 65.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 109.32 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.11 -157.89 10.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.1 -172.89 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.79 -34.92 15.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.43 -79.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.3 t70 153.5 170.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.604 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -101.83 -72.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.56 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.3 mt-10 73.73 -8.0 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.603 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -149.23 99.58 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.944 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.058 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -103.24 170.13 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.758 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -121.8 151.88 40.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.986 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.0 t -167.59 -159.35 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.663 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -110.42 152.66 43.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.006 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.01 -160.33 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.33 -170.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t -71.1 55.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 75' ' ' SER . . . 58.54 102.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.561 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -111.59 -32.23 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.387 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.663 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 8.7 m -128.38 7.75 5.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.562 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -147.21 -151.75 5.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.923 HG23 HD12 ' A' ' 104' ' ' ILE . 94.1 t -117.59 6.6 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.665 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 28.05 86.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.931 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.96 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -106.56 132.8 52.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.462 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -120.87 2.9 10.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.716 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.7 t 68.33 -57.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -56.25 -10.45 3.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.427 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -118.66 -18.33 4.85 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -121.77 -88.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 0.8 . . . . 0.0 109.345 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 160.76 -68.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.542 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -165.75 162.12 18.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.358 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.154 ' CG ' HD13 ' A' ' 86' ' ' ILE . 3.1 p90 -146.7 151.91 37.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.759 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.39 3.89 29.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.154 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.96 103.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.056 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.44 111.68 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.502 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.98 -175.53 18.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.7 mtpt -53.29 -36.41 61.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 0.789 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.47 173.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.4 tp10 -132.21 4.18 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.74 -120.53 3.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.7 140.83 49.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 81.16 -3.8 74.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.604 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.93 143.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.74 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.13 -168.7 3.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.758 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -128.83 128.29 43.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.583 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.058 HD13 HG21 ' A' ' 63' ' ' ILE . 4.9 pt -140.47 145.18 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.581 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.6 OUTLIER -141.74 163.7 32.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.422 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.595 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -58.51 -46.15 87.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.206 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.45 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -62.68 -31.86 72.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 108.324 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.439 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.5 t0 -73.95 167.85 20.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.056 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -71.03 118.08 13.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.923 HD12 HG23 ' A' ' 74' ' ' VAL . 6.5 pt -165.38 134.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.695 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.74 158.47 32.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.601 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.0 10.81 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.639 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 18.3 t90 71.07 -59.87 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 107.961 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.626 ' O ' HG23 ' A' ' 109' ' ' THR . 33.4 t70 -69.72 52.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.681 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.7 p -157.73 -55.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.019 HD22 ' HB3' ' A' ' 114' ' ' GLN . 50.7 mt 9.73 -107.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.97 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.397 1.061 . . . . 0.0 110.015 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.53 -62.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.511 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 27.4 m -49.65 -24.03 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.019 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -87.95 -37.19 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.662 ' HG3' HD13 ' A' ' 110' ' ' LEU . 2.0 mtmt -68.12 -37.54 81.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.511 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -63.55 -19.89 65.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.663 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -90.04 -22.84 21.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.119 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 72.5 mt -61.54 -22.7 65.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -102.03 -2.4 29.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.625 ' ND1' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -90.22 27.89 1.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.604 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 1.5 mpt_? 43.39 -96.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.768 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 8.9 p90 -140.91 97.45 3.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.539 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 2.2 tt0 50.87 69.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.41 ' HG3' ' HA ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -65.45 57.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 52.08 22.03 8.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -170.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.91 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 56.1 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 58.53 11.54 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.23 166.52 9.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 108.355 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.9 p -103.43 107.72 56.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -75.01 123.96 8.26 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.754 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.6 p -149.56 -132.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.754 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.51 85.06 0.17 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.623 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.439 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.4 Cg_endo -74.97 1.11 8.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 113' ' ' THR . 0.3 OUTLIER -138.35 -43.1 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.3 mt-30 -64.93 -5.27 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.827 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.79 -37.75 24.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.853 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.9 m-85 -87.4 1.81 52.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 5.1 m -111.2 -15.22 13.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 108.335 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.1 -39.06 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.58 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -56.25 170.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -148.39 14.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.784 HG23 ' HD3' ' A' ' 56' ' ' PRO . 11.1 p -165.74 89.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.023 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -101.39 118.09 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.652 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.7 OUTLIER -143.72 125.25 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.675 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 3.7 mtp180 -77.27 39.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.96 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.82 170.68 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.472 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 16.2 ptmt -124.41 121.69 35.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.86 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.66 104.25 16.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.68 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.5 m -107.16 -36.48 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.518 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -114.41 166.85 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.078 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.8 mp0 -149.97 -179.78 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -148.36 113.98 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.44 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 7.3 tt0 -75.17 90.78 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.56 HG13 ' HG2' ' A' ' 27' ' ' LYS . 10.0 m -97.2 94.57 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.502 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -45.11 146.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.652 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -133.22 15.5 4.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.19 -174.43 37.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.2 m120 -84.27 165.44 18.32 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -95.46 -161.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.78 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.56 1.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.598 1.186 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.78 -0.63 19.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.87 -8.77 76.79 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.41 153.88 79.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.5 Cg_endo -74.92 129.65 12.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.652 HG21 ' OG ' ' A' ' 31' ' ' SER . 52.8 mt -70.91 -84.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.03 124.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.605 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -129.74 68.05 1.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.952 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -41.46 145.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.644 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.2 mm-40 -88.37 -177.15 5.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.932 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -137.43 68.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.552 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 13.6 tt0 -62.73 68.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.96 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.2 pt -66.44 -176.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.8 ttpt -118.51 -4.59 10.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.51 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.8 mm100 54.99 114.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.472 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -122.18 -35.36 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.541 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -145.49 160.82 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.492 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -140.21 68.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.974 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -35.94 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.618 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -126.93 70.08 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.17 -163.09 12.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.784 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.08 -170.59 0.81 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.29 -33.23 12.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.655 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.4 -81.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.655 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 151.11 164.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.641 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -106.87 -78.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.539 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.01 -7.04 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.584 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -146.11 96.28 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.033 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -100.67 172.49 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.658 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.17 153.43 41.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.861 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.5 t -170.81 -164.55 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.616 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -105.64 153.56 39.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.952 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.01 -160.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.35 -160.18 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.975 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.659 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 66.1 p -81.63 32.89 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 82.29 101.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.545 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -109.84 -40.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.91 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 16.7 m -121.46 13.34 10.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.542 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.33 -152.65 6.01 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.073 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.957 HG23 HD12 ' A' ' 104' ' ' ILE . 47.9 t -115.62 3.84 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.552 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 8.3 p 27.74 82.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.936 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.133 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.48 141.33 36.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.491 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -125.99 0.53 7.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.68 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.8 t 69.62 -56.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -55.1 -11.83 3.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.45 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -117.69 -16.28 6.0 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.44 -89.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 160.99 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.502 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -169.23 168.43 9.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.161 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -152.14 152.66 32.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.789 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.25 2.71 34.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.161 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.91 100.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.031 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.91 101.92 6.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.504 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -156.93 162.81 31.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -36.31 96.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.686 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -60.58 176.26 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.528 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.7 tp10 -124.85 4.35 8.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.17 -115.61 1.68 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.83 139.68 40.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.487 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 82.03 -2.16 84.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.589 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.39 142.84 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.766 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.5 -169.58 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.447 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -126.48 133.49 51.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.575 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.033 HD13 HG21 ' A' ' 63' ' ' ILE . 12.9 pt -144.45 142.08 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.645 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.8 OUTLIER -140.33 161.0 38.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.777 ' CD2' ' H2 ' ' A' ' 1' ' ' CYS . 0.8 OUTLIER -57.08 -43.69 82.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.252 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -63.22 -33.6 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 108.344 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.431 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.5 t0 -73.81 167.57 21.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.031 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.64 119.09 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.957 HD12 HG23 ' A' ' 74' ' ' VAL . 4.2 pt -165.8 135.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.715 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.84 158.8 32.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.613 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.02 10.12 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.675 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.6 t90 71.91 -59.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.649 ' O ' HG23 ' A' ' 109' ' ' THR . 42.8 t0 -70.35 52.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.651 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.0 p -158.43 -59.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.926 HD22 ' HB3' ' A' ' 114' ' ' GLN . 54.1 mt 15.18 -107.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.24 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.95 -65.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.479 ' N ' HG22 ' A' ' 112' ' ' THR . 24.1 m -49.48 -27.48 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.926 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -82.57 -32.86 28.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -73.16 -42.6 62.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.29 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.428 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -60.89 -20.84 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.661 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.63 -15.15 33.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.974 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 63.4 mt -71.76 -20.15 61.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 119' ' ' ASN . 0.1 OUTLIER -74.42 -56.36 4.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 117' ' ' SER . 1.4 p80 -46.45 134.53 9.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.549 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.464 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -49.91 -49.94 48.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.793 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 2.2 p90 179.62 98.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.449 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 1.5 tt0 61.77 67.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.506 ' CG ' ' HB2' ' A' ' 120' ' ' HIS . 0.1 OUTLIER -69.7 55.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.969 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 48.55 22.24 2.52 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -169.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 71' ' ' VAL . 37.8 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.62 25.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.439 1.087 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -83.69 160.29 21.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 108.31 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.453 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 9.6 p -88.49 113.85 57.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 103.25 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.738 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.2 p -126.34 -131.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.738 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 41.31 82.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.568 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.73 6.32 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.425 HE22 ' CD ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -139.09 -44.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 8.9 mt-30 -63.65 -6.24 5.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.816 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.15 -38.11 22.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.932 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -86.63 1.05 53.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 1.8 m -110.42 -13.96 14.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.275 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -98.0 -37.85 9.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.637 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -55.72 171.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.03 15.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.727 HG23 ' HD3' ' A' ' 56' ' ' PRO . 14.6 p -166.42 84.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.975 HG13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.75 120.94 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.696 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.0 OUTLIER -145.19 124.89 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.696 ' CZ ' ' CZ2' ' A' ' 107' ' ' TRP . 16.9 mtp180 -77.29 40.51 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.941 HG21 HD12 ' A' ' 47' ' ' ILE . 2.3 t -62.97 175.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.467 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.525 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.7 ptmt -129.02 120.66 26.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.833 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.5 103.15 15.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.639 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.9 m -105.08 -37.04 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.513 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -113.37 166.0 11.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.413 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 2.6 mp0 -150.85 -175.18 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.206 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.09 112.31 4.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.226 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.547 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.2 tt0 -75.97 90.08 2.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.594 HG23 ' HG3' ' A' ' 42' ' ' ARG . 16.8 m -97.5 79.67 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' OD1' ' OE1' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -44.61 142.39 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.7 t -127.94 30.19 5.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.51 -169.14 6.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.9 m120 -83.9 164.39 19.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.6 t70 -94.78 -161.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.769 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.99 1.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -109.0 -1.23 19.11 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.08 -8.72 77.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.8 p-10 -78.39 153.37 79.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.566 0.804 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.04 128.96 11.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.45 HG21 ' OG ' ' A' ' 31' ' ' SER . 23.4 mt -73.8 -95.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.485 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 25.6 ttmt 72.54 124.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.628 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.5 ptt85 -127.79 72.94 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.957 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -45.0 143.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.632 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.6 mm-40 -86.55 -178.81 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 1.012 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -137.77 67.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.513 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.8 tt0 -63.12 70.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.941 HD12 HG21 ' A' ' 21' ' ' THR . 3.5 pt -67.87 -177.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.0 ttpt -120.44 -3.35 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.525 ' HG3' ' OD1' ' A' ' 59' ' ' ASP . 15.1 mm100 58.2 123.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.608 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -130.79 -37.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -149.85 154.58 38.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.503 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -132.66 72.84 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.909 ' CE2' HD22 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -37.81 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -135.81 76.3 1.6 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.32 -162.65 11.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.578 1.174 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.727 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.96 -175.77 2.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -90.04 -32.57 16.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.592 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.07 -79.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.649 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 4.2 t0 148.12 168.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.664 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -108.56 -76.98 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.537 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 2.1 mt-10 72.87 -9.12 1.15 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.524 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.2 m-85 -141.93 95.42 2.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.077 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -102.77 166.59 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.623 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.2 m-85 -120.36 157.66 28.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.189 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 1.012 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.6 t -172.88 -161.97 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.678 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -111.02 152.32 43.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.957 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.06 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 68.09 -159.11 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.708 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 46.2 t -81.78 28.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.952 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 85.7 96.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.628 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -104.32 -49.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.755 ' O ' HG22 ' A' ' 99' ' ' THR . 3.8 m -109.76 9.36 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.552 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.33 -152.88 5.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.842 HG23 ' CD1' ' A' ' 104' ' ' ILE . 70.6 t -117.55 2.26 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.647 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER 31.54 86.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.946 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -104.67 136.82 43.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.505 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -120.71 -5.39 9.7 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.639 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.9 t 69.64 -55.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -48.07 -13.93 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -117.87 -27.72 2.44 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -107.17 -94.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.533 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 165.7 -63.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.533 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -167.11 168.04 13.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.253 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.175 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -150.15 154.03 37.34 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.417 1.073 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.778 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.61 2.27 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.175 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.65 100.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.987 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.49 111.34 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.544 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.46 174.55 24.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.415 1.072 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.676 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.84 -34.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 0.808 . . . . 0.0 109.383 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.687 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 82.19 173.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.531 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.7 OUTLIER -131.65 3.13 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.245 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.15 -120.47 3.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.96 143.22 50.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.494 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.77 -3.18 65.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.664 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.33 141.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.73 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.44 -168.46 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.92 128.25 43.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.077 HD13 HG21 ' A' ' 63' ' ' ILE . 3.1 pt -140.89 139.14 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.755 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -136.45 167.02 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.577 1.173 . . . . 0.0 110.349 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 101' ' ' CYS . 0.5 OUTLIER -62.38 -48.91 77.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.652 ' H ' HD23 ' A' ' 100' ' ' LEU . 6.5 t -63.44 -13.78 43.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 108.309 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.417 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.3 t0 -92.13 166.71 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.987 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -69.52 115.59 8.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.842 ' CD1' HG23 ' A' ' 74' ' ' VAL . 6.6 pt -165.28 129.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.69 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.53 159.19 36.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.05 10.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.696 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 14.1 t90 71.3 -61.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.664 ' O ' HG23 ' A' ' 109' ' ' THR . 57.2 t0 -69.83 52.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 108' ' ' ASP . 2.1 p -158.85 -59.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.904 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.3 mt 14.55 -106.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.05 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.0 -67.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.524 ' N ' HG22 ' A' ' 112' ' ' THR . 21.8 m -47.54 -25.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.904 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -84.43 -34.04 23.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.827 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -71.83 -42.42 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.63 ' HZ3' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -62.02 -20.99 64.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.619 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -88.47 -15.25 35.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.931 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.909 HD22 ' CE2' ' A' ' 53' ' ' PHE . 54.3 mt -72.62 -28.34 62.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -85.85 -8.68 57.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.63 ' CD2' ' HZ3' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -83.04 8.84 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.601 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.473 ' CA ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 61.55 -85.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.562 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.4 OUTLIER -150.74 90.61 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.442 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 2.1 tt0 57.27 66.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.558 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.24 56.83 0.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 52.37 25.78 20.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.49 -171.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 3' ' ' CYS . 57.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 39.43 28.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.059 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 1' ' ' CYS . 1.4 m -75.77 164.34 26.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.34 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -97.89 110.1 54.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.944 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.02 3.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.712 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.8 p -140.11 -131.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.712 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.43 95.0 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.24 15.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.793 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.571 ' OE1' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -124.76 -42.6 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 6.1 mt-30 -55.09 -10.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.818 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.46 -36.89 21.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.902 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -88.74 0.65 56.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 m -109.42 -15.13 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.25 -37.13 10.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.617 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -55.03 174.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -156.37 17.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 88' ' ' GLY . 14.1 p -166.0 78.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.969 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -93.73 118.11 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.632 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -144.73 124.63 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.662 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 10.9 ttp180 -76.71 41.13 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.904 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.1 t -60.81 171.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.528 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.5 ptmt -124.37 118.65 27.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.827 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.82 106.23 18.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.805 ' CG1' HG11 ' A' ' 78' ' ' VAL . 3.2 m -110.39 -37.09 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.507 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -112.48 163.47 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.986 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -148.36 -176.45 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.02 115.18 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 6.9 tt0 -75.09 92.57 2.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG13 ' HG2' ' A' ' 27' ' ' LYS . 6.7 m -99.51 93.83 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.492 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.5 m-20 -45.25 143.92 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.378 1.049 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.659 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -130.9 17.46 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.059 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.08 -174.08 30.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.437 1.086 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.7 m120 -84.72 165.89 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.0 t0 -95.5 -161.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -81.17 1.18 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -108.94 -1.56 18.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.6 -8.97 77.72 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.529 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -77.64 153.62 81.08 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.571 0.806 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.5 Cg_endo -74.96 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.659 HG21 ' OG ' ' A' ' 31' ' ' SER . 46.4 mt -71.91 -84.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.564 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.99 124.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.61 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.18 69.74 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.934 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -43.09 145.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.643 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.8 mm-40 -87.21 -179.6 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.978 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.76 68.79 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.047 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.8 tt0 -63.35 68.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.181 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.904 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.5 pt -65.72 -175.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.519 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -123.53 0.16 8.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.519 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.54 128.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.561 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -134.59 -36.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' N ' HG12 ' A' ' 50' ' ' ILE . 3.0 tttt -144.36 167.32 22.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.361 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.555 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.92 65.05 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.823 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 18.9 m-85 -40.13 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -127.18 71.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.02 -158.72 9.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.568 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.01 -173.49 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -88.81 -34.69 16.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.227 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -81.94 -78.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.4 t70 152.39 171.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.591 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.4 mm -97.92 -73.12 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.568 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.86 -8.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.362 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.592 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -146.42 96.89 2.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.062 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.53 169.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.62 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.8 m-85 -122.35 155.48 35.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.929 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.7 t -172.68 -165.51 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.61 155.68 36.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.934 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.04 -165.54 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.52 -172.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.785 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -54.09 -33.84 58.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 149.06 109.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.643 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -115.91 -36.31 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.744 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 8.3 m -128.76 17.66 6.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.619 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -159.83 -153.48 6.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.931 HG23 HD12 ' A' ' 104' ' ' ILE . 64.8 t -117.19 -0.82 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.553 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 33.84 85.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.009 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.153 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -106.41 134.19 49.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.497 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -122.93 1.24 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.087 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.6 t 71.33 -58.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -54.68 -9.79 1.89 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.488 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.95 -20.99 3.95 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.52 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -124.05 -92.47 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 0.723 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.087 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.71 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.332 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.588 ' O ' ' O ' ' A' ' 106' ' ' PRO . 10.9 mp0 -148.21 149.46 31.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.153 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.9 p90 -130.88 153.08 49.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.793 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -83.97 3.53 33.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.137 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.19 104.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.036 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -130.01 110.22 11.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.707 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -147.52 170.2 28.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.684 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.0 tttm -39.6 -35.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 83.46 177.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.602 1.189 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.1 tp10 -134.96 7.31 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.44 -123.68 4.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.35 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 75.64 -0.47 60.95 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.107 . . . . 0.0 111.045 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.18 142.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.289 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.672 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.75 -170.0 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.982 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.69 130.13 48.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.062 HD13 HG21 ' A' ' 63' ' ' ILE . 6.3 pt -141.53 139.18 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.615 ' O ' HD11 ' A' ' 104' ' ' ILE . 2.0 p -138.33 163.82 30.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.439 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.514 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -62.5 -29.16 70.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -29.83 57.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 108.284 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.406 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.6 t0 -81.18 170.24 16.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.036 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.82 117.5 12.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.051 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.931 HD12 HG23 ' A' ' 74' ' ' VAL . 7.3 pt -164.42 132.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.502 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.51 157.36 32.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.588 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.4 Cg_endo -74.99 7.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.419 1.747 . . . . 0.0 111.049 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.793 ' HD1' HD12 ' A' ' 85' ' ' LEU . 2.5 t90 73.99 -57.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.03 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 109' ' ' THR . 65.9 t0 -69.34 50.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.683 ' O ' ' C ' ' A' ' 110' ' ' LEU . 13.3 p -158.67 -55.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.028 HD22 ' HB3' ' A' ' 114' ' ' GLN . 40.7 mt 8.49 -106.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 147.43 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.599 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.74 -63.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.482 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 20.6 m -51.03 -25.81 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.445 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.028 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -84.17 -33.02 24.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.807 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -72.72 -42.45 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.571 ' CE ' ' OE1' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -64.09 -12.51 39.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.601 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.3 -19.81 17.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.823 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -71.05 -26.68 63.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 1.183 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.437 ' ND2' ' HA ' ' A' ' 116' ' ' LYS . 10.1 p30 -92.62 -23.96 18.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.677 ' CD2' ' CB ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -84.23 47.75 1.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.64 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 15.3 mmt-85 55.83 -109.82 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.559 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 40.0 p90 -147.69 11.41 0.97 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.8 OUTLIER 169.3 62.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.677 ' CB ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.73 55.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 48.88 22.42 2.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.45 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -59.74 -170.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 0.0 110.303 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.401 ' C ' ' N ' ' A' ' 3' ' ' CYS . 63.4 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 49.57 21.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -69.04 162.94 25.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.491 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 69.3 p -85.62 115.88 63.32 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.95 84.21 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.708 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.6 p -103.97 -132.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.708 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 42.0 93.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.595 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -27.86 9.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.57 ' OE1' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -120.11 -40.57 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 8.8 mt-30 -57.28 -8.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.814 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.75 -39.48 20.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.895 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -85.91 1.53 49.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 6.3 m -110.2 -15.08 14.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 108.241 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.95 -38.66 10.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.612 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.76 172.24 0.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -148.48 11.27 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.799 HG21 ' SD ' ' A' ' 96' ' ' MET . 4.9 p -166.91 92.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.952 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -100.88 122.86 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.555 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -145.24 126.28 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.697 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.5 mtp180 -77.27 37.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.231 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.95 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.4 t -60.87 163.67 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 14.8 ptmt -119.23 119.92 35.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.862 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.17 101.36 13.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.946 HG12 HG11 ' A' ' 78' ' ' VAL . 2.9 m -103.71 -35.69 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.503 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.7 161.73 18.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.1 -177.4 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.639 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -151.29 112.45 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.475 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 1.2 tt0 -74.55 92.73 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' HG2' ' A' ' 27' ' ' LYS . 11.4 m -99.17 80.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.78 139.4 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.524 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.7 t -125.43 32.6 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.67 -169.57 4.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.532 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.3 m120 -83.66 165.24 19.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.4 t70 -94.86 -162.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.46 0.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -108.49 -1.31 19.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.46 -9.54 75.2 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.106 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.4 p-10 -77.45 153.85 81.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.0 130.04 12.91 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.513 HD12 ' O ' ' A' ' 31' ' ' SER . 41.8 mt -75.22 -94.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 20.1 ttmt 72.13 121.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.652 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.6 ptt85 -126.14 69.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.026 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -39.3 146.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.652 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 10.6 mm-40 -89.68 179.36 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 1.016 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.71 70.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.503 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.6 tt0 -64.66 66.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.59 1.181 . . . . 0.0 110.256 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.95 HD12 ' CG2' ' A' ' 21' ' ' THR . 1.7 pt -65.37 -176.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -119.24 0.9 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.502 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.3 mm100 49.37 107.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.471 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -115.57 -33.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.53 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -144.41 164.54 30.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.406 ' HG2' HG22 ' A' ' 19' ' ' ILE . 2.1 ttp -144.8 70.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.007 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -40.67 -77.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.542 ' O ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.23 165.89 21.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.525 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 128.8 -137.26 9.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.585 ' CD ' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.03 -163.11 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.79 -30.13 4.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.0 -81.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.556 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.6 t70 154.92 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.202 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.683 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.2 mm -102.83 -79.88 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.538 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 76.66 -8.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.589 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -143.45 94.09 2.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.807 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -104.33 171.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.388 1.055 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.611 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.0 m-85 -119.67 163.76 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.886 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.0 t -176.64 -174.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.625 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.04 148.3 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.026 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.99 -161.3 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.407 1.741 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.7 OUTLIER 58.42 -170.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.6 p -70.14 54.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.052 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 56.02 96.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.638 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -103.22 -34.42 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.175 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.67 ' HA ' HD22 ' A' ' 100' ' ' LEU . 19.6 m -131.7 10.98 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.813 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -150.54 -156.01 7.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.99 HG23 HD12 ' A' ' 104' ' ' ILE . 15.0 t -115.15 1.09 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 74' ' ' VAL . 79.2 p 30.03 84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.112 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.87 129.77 49.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.466 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.6 p30 -116.25 -3.46 11.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.982 HG22 ' O ' ' A' ' 82' ' ' LYS . 0.9 OUTLIER 72.04 -52.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.13 -15.33 0.38 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.503 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.6 -32.63 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.538 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -102.86 -95.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.982 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 163.81 -66.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.526 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -161.66 166.61 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.12 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.5 p90 -150.69 153.75 36.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.781 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.34 0.21 46.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.12 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 13.36 100.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.018 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.96 109.77 11.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.94 177.02 21.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.695 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 3.3 tttm -51.03 -28.63 10.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.715 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 83.68 -178.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.547 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.8 tp10 -136.92 -37.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.44 -150.33 11.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.7 130.08 45.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 0.75 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 83.8 -4.37 82.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -166.77 141.65 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.799 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -140.49 -158.6 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.94 130.28 27.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.69 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.807 HD13 HG21 ' A' ' 63' ' ' ILE . 10.2 pt -141.61 142.1 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.217 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.669 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.7 OUTLIER -140.37 159.49 42.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.67 HD22 ' HA ' ' A' ' 72' ' ' CYS . 1.0 OUTLIER -55.19 -46.64 75.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 2.4 t -61.69 -32.29 72.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 108.265 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.493 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 10.2 t0 -74.87 167.73 21.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.018 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -70.82 117.2 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.937 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.99 HD12 HG23 ' A' ' 74' ' ' VAL . 4.2 pt -165.53 132.35 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.634 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -152.0 159.35 33.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.604 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.0 Cg_endo -75.04 10.41 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.697 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 18.0 t90 71.38 -59.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.047 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.667 ' O ' HG23 ' A' ' 109' ' ' THR . 16.1 t70 -69.33 52.49 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.675 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.0 p -159.29 -56.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.947 HD22 ' HB3' ' A' ' 114' ' ' GLN . 52.1 mt 11.25 -108.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.45 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.583 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.93 -65.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.356 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.52 ' N ' HG22 ' A' ' 112' ' ' THR . 25.2 m -49.83 -26.59 4.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.452 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.947 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -83.04 -31.15 27.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.576 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -75.5 -43.44 49.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.57 ' CE ' ' OE1' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -62.59 -13.44 31.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.619 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -96.74 -15.1 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 110.026 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.007 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 76.0 mt -69.63 -31.11 69.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -86.46 -19.56 29.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 0.3 OUTLIER -85.8 43.52 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.641 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.407 ' HD2' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 52.24 -101.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.644 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 47.5 p90 -149.06 12.41 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.644 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 3.0 tt0 160.63 61.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 110.274 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.537 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -70.92 54.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.44 24.67 24.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.417 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -59.17 -167.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.407 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 1.1 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.74 ' O ' HD21 ' A' ' 100' ' ' LEU . 77.1 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.53 ' C ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -26.88 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' A' ' 1' ' ' CYS . 43.6 t -150.79 133.92 16.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 108.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -62.23 109.39 2.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.4 Cg_endo -74.97 76.76 3.29 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.467 1.772 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.757 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.1 p -98.79 -133.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.757 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.7 OUTLIER 43.54 93.96 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.129 . . . . 0.0 109.594 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.46 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.0 -32.97 4.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -114.75 -36.33 4.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.353 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.502 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -58.16 -11.7 2.85 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.877 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.05 -34.94 29.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.895 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -89.44 -3.55 58.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.472 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 7.3 m -104.95 -9.67 17.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.371 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.502 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.4 OUTLIER -103.47 -39.27 6.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.631 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.03 169.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.237 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -148.83 15.31 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.711 HG23 ' HD3' ' A' ' 56' ' ' PRO . 13.2 p -166.57 88.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.018 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -99.58 117.12 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.661 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.0 OUTLIER -142.27 124.74 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.634 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 8.2 mtp180 -78.1 39.67 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.919 HG21 HD12 ' A' ' 47' ' ' ILE . 2.2 t -60.09 179.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.73 ' HG2' HG22 ' A' ' 50' ' ' ILE . 13.7 ptmt -133.04 118.63 19.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.842 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.59 104.21 16.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.72 ' CG1' HG11 ' A' ' 78' ' ' VAL . 3.5 m -107.92 -35.85 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.37 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -113.71 161.64 17.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 110.06 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 3.5 mp0 -147.44 -177.23 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.64 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.3 ttpt -149.85 114.68 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 7.5 tt0 -75.3 92.27 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.537 HG13 ' HG2' ' A' ' 27' ' ' LYS . 22.3 m -103.99 119.64 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.437 ' CG ' ' HZ3' ' A' ' 41' ' ' LYS . 1.3 m-20 -61.7 159.12 14.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.663 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -146.69 18.2 1.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.162 . . . . 0.0 109.952 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.404 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 74.26 179.79 41.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.0 m-20 -84.14 164.41 19.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -96.16 -161.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.774 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.88 1.84 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -110.07 -0.34 18.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.582 1.176 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.31 -9.83 71.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.147 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.518 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.5 p-10 -77.72 154.6 81.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.08 129.76 12.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.663 HG21 ' OG ' ' A' ' 31' ' ' SER . 55.0 mt -65.2 -79.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.659 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.1 tppt? 69.56 125.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.638 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -130.63 68.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.319 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.952 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -40.07 146.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.64 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.0 mm-40 -88.08 179.79 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.953 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.84 67.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.512 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.6 tt0 -63.35 70.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.919 HD12 HG21 ' A' ' 21' ' ' THR . 3.3 pt -66.34 -173.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.557 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -127.17 2.54 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 54.49 125.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.739 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -132.72 -30.23 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -155.03 167.25 30.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.48 ' HA ' HG22 ' A' ' 19' ' ' ILE . 3.2 ptp -144.83 69.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.105 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -38.28 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.616 ' HB3' HG23 ' A' ' 18' ' ' VAL . 13.7 tptp -133.24 72.26 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.1 -152.44 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.711 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.6 Cg_endo -74.96 -168.46 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.077 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -97.36 -33.81 11.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.24 -79.77 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.511 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.2 t70 155.65 170.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.572 HG21 HD13 ' A' ' 63' ' ' ILE . 1.8 mm -100.13 -74.23 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 72.81 -8.15 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.58 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -145.98 95.6 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -107.09 167.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.381 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.604 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.3 m-85 -121.33 152.26 39.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.924 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.5 t -167.38 -165.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.473 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.767 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.34 154.52 37.37 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.952 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.95 -161.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.88 -168.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.775 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 3.6 p -54.09 -40.18 67.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 152.29 102.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.717 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.9 OUTLIER -106.5 -44.49 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.167 . . . . 0.0 109.326 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.847 ' O ' HG22 ' A' ' 99' ' ' THR . 20.5 m -121.58 27.01 8.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 108.254 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.59 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -168.03 -153.62 8.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.886 HG23 HD12 ' A' ' 104' ' ' ILE . 96.1 t -121.08 -1.3 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.575 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.1 OUTLIER 34.68 82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.946 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.145 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.12 132.39 50.42 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.507 ' C ' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -118.22 1.27 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.72 HG11 ' CG1' ' A' ' 24' ' ' VAL . 3.4 t 68.88 -57.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -51.23 -13.56 1.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -116.13 -25.36 3.57 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -112.63 -90.04 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.5 -63.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -169.62 165.98 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.355 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.147 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.1 p90 -149.7 152.99 36.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.995 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.762 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.78 4.16 30.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.147 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 9.92 101.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.047 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.96 109.47 11.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.546 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.0 171.16 26.25 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.673 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -39.75 -36.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 83.78 175.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.517 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.2 tp10 -134.83 6.98 3.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.87 -122.85 4.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.04 142.56 50.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.24 -2.28 71.67 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.69 142.8 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 0.721 . . . . 0.0 109.345 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.661 ' HE3' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.54 -168.79 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.08 129.29 46.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.612 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.014 HD12 HG13 ' A' ' 86' ' ' ILE . 2.7 pt -141.52 141.67 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.847 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -142.1 164.7 29.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.74 HD21 ' O ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -58.49 -44.57 89.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.374 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 2.6 t -63.52 -32.35 73.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 108.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.429 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.3 t0 -75.83 168.27 20.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.047 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.9 115.52 11.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.886 HD12 HG23 ' A' ' 74' ' ' VAL . 7.9 pt -162.86 132.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.678 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -151.67 158.48 34.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.615 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 11.98 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.631 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.2 t90 71.13 -62.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 108.019 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.665 ' O ' HG23 ' A' ' 109' ' ' THR . 16.9 t70 -69.47 53.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.668 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.3 p -158.82 -56.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.383 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.016 HD22 ' HB3' ' A' ' 114' ' ' GLN . 61.9 mt 11.68 -107.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 147.47 -41.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.83 -62.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.553 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 21.3 m -51.63 -22.62 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.016 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -87.22 -37.45 17.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.608 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.1 mtmt -67.5 -38.19 83.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.553 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 2.7 pttt -64.32 -16.84 62.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.678 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -97.42 -9.7 26.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 0.0 109.96 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.105 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 28.4 mt -72.63 -30.05 63.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -96.84 1.48 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.677 ' CD2' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -88.3 17.97 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.61 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 53.14 -91.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.589 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.3 OUTLIER -148.44 94.17 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.493 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 0.9 OUTLIER 55.2 59.24 4.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.414 1.071 . . . . 0.0 110.328 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.5 56.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.402 1.064 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 55.8 28.58 52.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -168.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.67 49.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.564 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -62.13 -173.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 108.284 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -141.34 124.24 9.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.98 134.77 18.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.436 1.756 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.759 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -154.84 -134.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.759 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 32.94 90.49 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 4.38 4.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.507 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.6 OUTLIER -140.46 -44.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.613 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -64.0 -7.21 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.203 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.779 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.57 -33.59 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.862 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.2 m-85 -89.89 -3.08 58.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.3 m -104.91 -13.79 15.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.613 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.4 OUTLIER -99.23 -39.95 8.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.581 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.55 172.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.36 13.6 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.764 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 5.0 p -167.55 90.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.033 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.3 t -99.82 116.33 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.598 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -141.85 123.59 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.651 ' CZ ' ' CZ3' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -76.79 40.96 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.322 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.969 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.3 t -63.32 174.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.374 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.541 ' HG2' HG22 ' A' ' 50' ' ' ILE . 12.8 ptmt -128.51 120.22 26.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.856 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.05 109.45 20.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.816 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.5 m -112.15 -35.62 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.493 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -116.11 169.38 9.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -151.9 179.28 8.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.1 ttpt -144.44 111.84 6.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.588 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 4.9 tt0 -74.33 91.68 2.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.357 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.498 HG13 ' HG2' ' A' ' 27' ' ' LYS . 33.1 m -107.31 116.56 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.5 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -57.54 162.25 3.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.556 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.1 t -147.4 18.57 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.66 177.5 46.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.2 m-80 -85.27 162.33 19.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 0.773 . . . . 0.0 109.291 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.8 t0 -93.74 -162.6 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.754 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -80.19 1.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.21 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -109.52 -0.79 18.64 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.5 -8.88 75.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.527 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.1 p-10 -78.31 153.36 79.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.09 130.14 12.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 31' ' ' SER . 64.6 mt -64.97 -79.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.588 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.2 tppt? 70.03 125.25 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.683 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -130.2 68.97 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.977 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.47 139.34 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.683 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 6.1 mm-40 -81.72 -177.86 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.955 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.84 69.3 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.9 tt0 -63.17 68.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.969 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.6 pt -66.66 -175.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.464 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -120.52 -3.86 9.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.53 ' CD ' ' OD1' ' A' ' 59' ' ' ASP . 19.2 mm100 59.85 125.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.601 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -134.16 -38.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -144.51 151.16 38.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.379 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.423 ' HA ' HG22 ' A' ' 19' ' ' ILE . 4.3 ptt? -135.45 67.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.99 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.561 ' CG ' HD23 ' A' ' 118' ' ' LEU . 46.7 m-85 -44.55 -73.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.734 ' HB3' HG23 ' A' ' 18' ' ' VAL . 13.3 tptt -125.88 159.56 32.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.45 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 134.25 -143.96 15.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -163.04 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -116.67 -30.99 5.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.36 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -71.14 -76.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.677 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 2.7 t0 149.89 163.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.683 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.3 mm -104.57 -76.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 74.68 -9.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.286 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.596 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -142.4 93.7 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.95 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.014 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -97.96 171.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.758 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -124.96 146.8 49.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.775 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.8 t -161.21 -161.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.596 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -106.58 153.75 40.41 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.384 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.977 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.07 -160.13 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.32 -170.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.994 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.7 p -73.42 53.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 63.4 102.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.669 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -112.14 -30.57 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.678 ' HA ' HD22 ' A' ' 100' ' ' LEU . 12.1 m -132.04 12.2 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 108.256 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.604 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.81 -151.58 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.919 HG23 HD12 ' A' ' 104' ' ' ILE . 99.2 t -115.69 4.71 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.539 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 19.1 p 27.81 86.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.09 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.155 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.29 136.89 43.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.514 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -126.08 -0.31 7.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.068 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.4 t 72.34 -54.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.66 -11.18 1.81 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -118.99 -30.63 1.57 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.537 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -112.27 -95.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 0.794 . . . . 0.0 109.294 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.068 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.53 -84.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 106' ' ' PRO . 5.1 mp0 -145.52 159.28 43.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.155 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.3 p90 -145.4 152.61 40.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.764 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.27 5.01 24.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.144 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 9.31 101.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.033 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -127.48 106.63 9.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.63 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -159.67 156.31 27.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -36.22 94.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 109.359 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.764 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -55.57 175.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.516 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 21.0 tp10 -120.94 5.85 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.181 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.4 -108.47 0.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.114 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.04 135.98 23.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 84.83 -2.22 88.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.683 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.23 142.73 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.774 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.94 -168.6 3.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.758 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -127.47 130.61 49.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.606 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.014 HD13 HG21 ' A' ' 63' ' ' ILE . 4.8 pt -141.78 142.57 28.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.577 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.7 OUTLIER -140.02 163.82 31.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.413 1.071 . . . . 0.0 110.421 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -58.92 -46.57 87.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.441 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -62.44 -29.59 70.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 108.37 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.488 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 6.4 t0 -75.59 167.5 21.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.027 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -71.16 117.95 13.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.919 HD12 HG23 ' A' ' 74' ' ' VAL . 5.4 pt -164.84 135.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.613 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.83 157.61 30.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.561 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.0 Cg_endo -75.02 4.62 4.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.726 ' HD1' HD12 ' A' ' 85' ' ' LEU . 1.8 t90 77.92 -56.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.003 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.555 ' O ' HG23 ' A' ' 109' ' ' THR . 38.8 t70 -69.24 50.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.245 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.715 ' O ' ' C ' ' A' ' 110' ' ' LEU . 20.9 p -158.32 -51.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.026 HD22 ' HB3' ' A' ' 114' ' ' GLN . 42.7 mt 4.45 -105.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.653 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 144.92 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.36 -64.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.468 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.507 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 19.9 m -50.15 -25.29 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.026 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -83.8 -35.19 24.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.619 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -70.4 -42.57 71.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.426 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.95 -19.43 64.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.648 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -96.62 -6.96 35.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.942 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.561 HD23 ' CG ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -81.7 -23.81 36.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -105.6 12.54 31.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -88.02 13.96 10.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.079 . . . . 0.0 109.598 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.413 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 66.59 -71.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.445 ' HB2' ' CD ' ' A' ' 54' ' ' LYS . 7.9 t80 -174.05 92.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.507 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 2.3 tt0 55.12 47.97 20.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.8 56.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 61.74 22.56 62.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 111.054 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.403 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -58.91 -177.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.813 ' H1 ' ' HA ' ' A' ' 72' ' ' CYS . 93.1 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 31.15 39.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.584 ' H ' HD21 ' A' ' 100' ' ' LEU . 4.7 t -93.4 136.57 33.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 108.278 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.9 p -67.38 111.41 7.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.465 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.6 Cg_endo -74.95 70.1 5.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.401 1.738 . . . . 0.0 111.055 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.75 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.0 p -93.66 -134.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.75 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 40.62 93.81 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.6 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.439 1.758 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.486 ' CG ' ' SG ' ' A' ' 126' ' ' CYS . 0.0 OUTLIER -121.19 -38.48 2.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 12.0 mt-30 -58.25 -9.27 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.835 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.37 -38.29 24.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.878 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -87.42 1.47 53.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.493 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.0 OUTLIER -109.56 -16.77 13.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 108.287 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -94.9 -38.66 10.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.59 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.06 173.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.399 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.429 ' OD1' ' CE2' ' A' ' 122' ' ' TYR . 14.4 m-20 -155.66 18.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.895 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 7.3 p -167.45 80.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.949 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.93 117.45 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.647 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -143.09 125.03 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.696 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 6.1 mtp180 -75.77 38.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.854 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.3 t -59.89 169.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.615 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 14.7 ptmt -124.55 119.31 28.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.788 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.72 94.7 8.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.687 ' CG1' HG11 ' A' ' 78' ' ' VAL . 11.3 m -98.28 -35.71 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.517 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -113.43 162.06 16.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -147.73 -177.16 5.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.645 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -152.32 111.72 3.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.499 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -74.41 92.1 2.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.234 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' HG2' ' A' ' 27' ' ' LYS . 12.5 m -98.51 80.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -45.36 140.06 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.525 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.5 t -125.53 29.87 5.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 59.94 -169.91 7.04 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.7 m-20 -83.83 164.68 19.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 0.726 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.5 t0 -95.23 -162.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.14 1.26 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -108.35 -1.33 20.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.96 -9.07 75.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -78.08 153.21 79.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.791 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.12 129.13 11.95 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 31' ' ' SER . 33.3 mt -73.63 -96.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 22.9 ttmt 73.42 122.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.639 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -127.14 68.39 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.994 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -37.74 146.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.645 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mm-40 -89.57 179.21 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.974 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.24 68.33 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.517 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.5 tt0 -63.24 70.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.854 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -65.32 -167.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.652 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.9 ttpt -133.52 12.34 4.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.652 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 41.9 110.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.546 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -118.48 -28.87 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.534 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -152.63 167.8 27.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.51 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.19 69.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.792 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -40.98 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -132.22 71.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.02 -157.83 9.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.641 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.98 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.43 1.753 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -87.89 -33.61 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.547 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.03 -81.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 0.0 109.252 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 5.0 t70 152.45 170.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.064 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.623 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -102.48 -72.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 73.64 -9.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -145.72 98.49 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.957 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -105.8 168.51 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.582 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.6 m-85 -121.6 151.77 40.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.864 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 3.9 t -166.99 -169.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.348 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.672 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -103.3 149.62 37.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.994 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.02 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 65.89 -157.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.941 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.716 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 5.7 p -80.77 25.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.72 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 86.19 99.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.654 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -106.25 -41.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.219 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.813 ' HA ' ' H1 ' ' A' ' 1' ' ' CYS . 13.1 m -121.97 12.81 10.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.72 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -151.37 -161.82 10.33 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.922 HG23 HD12 ' A' ' 104' ' ' ILE . 43.8 t -109.5 -0.57 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.76 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 74' ' ' VAL . 25.8 p 31.04 79.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 110.044 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.001 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.03 129.52 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.24 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.539 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -107.48 -8.34 16.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.959 HG22 ' O ' ' A' ' 82' ' ' LYS . 2.5 t 70.51 -52.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.89 -15.48 0.17 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -117.59 -30.73 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.539 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -103.0 -93.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.959 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.36 -84.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 7.6 mp0 -151.15 149.68 29.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.152 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -126.37 154.5 43.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.702 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.55 4.4 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.152 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.13 105.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.011 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -130.81 109.91 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.576 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.77 -177.7 19.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.616 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.4 -32.21 25.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.895 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 78.45 175.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.534 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.7 tp10 -133.15 4.58 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.14 -124.83 4.47 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.04 141.9 51.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 0.726 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 79.4 -3.91 65.62 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.623 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -173.89 139.66 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.715 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.77 -173.29 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.998 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.46 130.68 53.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.957 HD13 HG21 ' A' ' 63' ' ' ILE . 14.7 pt -142.11 133.35 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.639 ' O ' HD11 ' A' ' 104' ' ' ILE . 63.0 p -133.39 159.9 38.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.654 HD22 ' O ' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -54.2 -16.88 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 99' ' ' THR . 0.4 OUTLIER -96.26 -26.71 15.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 108.273 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.638 ' O ' ' C ' ' A' ' 103' ' ' PHE . 8.6 t0 -83.44 104.49 13.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.011 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -11.68 120.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.922 HD12 HG23 ' A' ' 74' ' ' VAL . 3.9 pt -166.97 135.45 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.685 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.77 157.96 31.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.646 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.09 12.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.696 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.2 t90 70.92 -61.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.674 ' O ' HG23 ' A' ' 109' ' ' THR . 43.7 t0 -69.36 52.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 108' ' ' ASP . 1.9 p -159.13 -55.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.995 HD22 ' HB3' ' A' ' 114' ' ' GLN . 62.9 mt 10.9 -106.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 148.52 -43.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.558 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.8 -65.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.397 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.538 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 22.4 m -50.37 -21.23 1.34 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.995 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -87.38 -37.93 16.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.647 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.5 mtmt -67.42 -39.06 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.538 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 1.9 pttt -64.14 -14.57 55.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.622 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -97.68 -15.5 20.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.792 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 83.0 mt -71.86 -29.33 64.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.417 ' ND2' ' C ' ' A' ' 119' ' ' ASN . 1.2 p-10 -91.05 -14.41 31.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.528 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 0.0 OUTLIER -91.39 30.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.625 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.433 ' HD2' ' NZ ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER 64.35 -110.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.581 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 25.7 p90 -137.85 4.96 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.9 OUTLIER 167.23 57.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.528 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -70.24 53.7 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.51 15.3 31.78 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.561 1.163 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.486 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -67.39 -166.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.418 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 7.2 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.911 ' O ' HD21 ' A' ' 100' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.91 63.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.705 ' H ' HD21 ' A' ' 100' ' ' LEU . 2.4 m -65.06 -159.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.467 1.105 . . . . 0.0 108.304 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 p -141.35 113.83 6.77 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.484 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.93 71.45 4.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.787 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.742 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -82.78 -133.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.742 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 32.62 91.24 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.616 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.765 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.96 3.82 5.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.414 1.744 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 6.7 tp-100 -140.52 -41.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 1.1 mt-30 -67.3 -6.32 18.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.771 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.33 -36.8 22.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.876 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -87.25 -4.88 59.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 3.1 m -102.8 -16.65 15.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 108.277 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -94.2 -40.4 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.62 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.6 173.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.49 17.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.827 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 6.9 p -166.94 81.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.938 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.96 119.39 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.565 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -145.45 126.72 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.686 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.4 ttp180 -77.85 42.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.969 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.9 t -64.41 165.53 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 13.4 ptmt -119.43 122.23 41.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.836 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -95.93 103.28 15.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.599 1.187 . . . . 0.0 109.322 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.951 HG12 HG11 ' A' ' 78' ' ' VAL . 4.6 m -107.58 -38.01 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.49 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.3 t -113.16 159.01 19.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HB3' HG23 ' A' ' 43' ' ' ILE . 1.1 mp0 -144.79 -175.64 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.36 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.641 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.6 ttpt -151.93 114.76 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.617 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 0.7 OUTLIER -74.97 95.79 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.563 HG13 ' HG2' ' A' ' 27' ' ' LYS . 6.2 m -102.55 78.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.45 140.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.4 t -126.9 31.42 5.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.972 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.17 -170.33 7.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.429 1.08 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.1 m-20 -84.41 165.87 17.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -96.09 -161.9 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.67 0.16 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.217 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -107.89 -0.74 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.66 -8.98 75.66 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -77.51 152.55 81.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.383 0.696 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.11 129.34 12.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.478 HD12 ' O ' ' A' ' 31' ' ' SER . 25.3 mt -73.12 -95.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' HD3' ' CD1' ' A' ' 43' ' ' ILE . 17.3 ttmt 73.14 118.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.626 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.1 ptt180 -122.56 67.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.617 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 1.2 mp -38.1 146.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.641 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.3 mm-40 -88.7 -179.51 6.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.996 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.33 68.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 14.4 tt0 -62.34 68.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.969 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.5 pt -65.97 -176.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.7 OUTLIER -118.39 -4.81 10.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.511 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 14.2 mm100 54.31 111.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.464 HD11 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -118.76 -35.25 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' N ' HG12 ' A' ' 50' ' ' ILE . 1.5 tttt -144.7 163.66 33.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.527 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -143.27 68.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 111.032 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.116 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.3 m-85 -37.84 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.89 73.55 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 17' ' ' VAL . . . -121.72 -162.52 11.65 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.66 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.06 -172.81 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.434 1.755 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -93.03 -33.75 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.627 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -74.31 -81.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.627 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 153.7 165.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.596 1.185 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.584 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -105.63 -79.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.533 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.09 -8.7 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.579 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.0 m-85 -142.81 94.24 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.991 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -100.99 171.26 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.624 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 7.3 m-85 -122.39 154.9 37.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.895 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.9 t -171.91 -170.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.546 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -105.57 146.39 32.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.443 ' O ' HG13 ' A' ' 71' ' ' VAL . 18.2 Cg_endo -75.0 -161.26 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER 58.73 -168.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.06 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 70' ' ' ALA . 15.4 p -68.77 55.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.021 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.81 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 51.96 101.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.488 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -102.59 -37.91 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.666 ' HA ' HD22 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -133.83 20.11 3.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 108.256 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.81 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -154.04 -163.11 11.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.422 1.076 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.939 HG23 HD12 ' A' ' 104' ' ' ILE . 62.7 t -110.23 5.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 74' ' ' VAL . 90.0 p 26.7 85.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.121 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.31 133.08 48.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.333 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.521 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.1 p30 -120.17 -4.63 10.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.067 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.4 t 72.96 -49.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -54.67 -11.83 3.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.54 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -120.57 -36.69 0.77 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.54 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -101.26 -96.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 0.725 . . . . 0.0 109.328 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.067 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.25 -82.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.555 ' O ' ' O ' ' A' ' 106' ' ' PRO . 1.3 mp0 -148.21 158.24 43.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.142 ' CG ' HD13 ' A' ' 86' ' ' ILE . 3.0 p90 -142.35 152.37 42.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.722 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.23 4.49 26.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.142 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.04 105.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.031 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -130.96 111.02 11.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.612 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.31 177.98 22.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.599 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.2 tttm -49.79 -26.66 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.238 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.827 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 76.83 175.43 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.7 tp10 -132.98 5.24 3.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.1 -121.36 3.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.78 142.81 50.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 79.93 -5.71 61.38 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.584 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -172.73 147.22 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.789 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.715 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.16 -169.53 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.55 132.28 52.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.0 109.65 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.991 HD13 HG21 ' A' ' 63' ' ' ILE . 10.6 pt -145.02 135.74 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.654 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.4 p -137.98 162.88 32.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.911 HD21 ' O ' ' A' ' 1' ' ' CYS . 0.7 OUTLIER -60.89 -27.6 68.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -31.04 55.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 108.3 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.414 ' O ' HG12 ' A' ' 104' ' ' ILE . 3.2 t0 -80.9 170.09 16.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.223 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.031 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.27 118.87 13.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 111.058 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.939 HD12 HG23 ' A' ' 74' ' ' VAL . 6.1 pt -165.26 135.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.548 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.73 158.26 31.71 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.572 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.98 7.4 2.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.686 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 9.2 t90 74.57 -58.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 107.998 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 109' ' ' THR . 53.7 t0 -69.45 51.22 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 8.5 p -158.32 -51.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.007 HD22 ' HB3' ' A' ' 114' ' ' GLN . 53.6 mt 5.52 -107.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.387 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 145.51 -39.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.615 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.66 -64.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 110.451 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 8' ' ' PRO . 2.9 m -48.54 -26.85 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.007 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -83.75 -35.43 24.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.389 1.055 . . . . 0.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.468 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -68.91 -41.55 78.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.55 -15.13 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.637 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -97.83 -8.71 27.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.037 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.116 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 49.5 mt -77.29 -29.85 53.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.53 -9.98 22.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.619 ' CE1' ' OG ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -90.29 30.44 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.62 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 120' ' ' HIS . 10.3 mmt-85 66.7 -116.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.607 1.192 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.553 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 32.4 p90 -137.34 4.51 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.553 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.1 OUTLIER 172.82 65.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.58 ' HB2' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.31 54.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 48.07 22.33 2.14 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.4 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -57.81 -169.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.248 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.64 ' SG ' HG23 ' A' ' 71' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.0 63.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.73 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.1 t -95.93 161.17 14.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 37.2 p -97.27 127.52 38.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.94 101.39 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.713 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.6 p -121.52 -132.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.713 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.39 90.47 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.394 0 O-C-N 124.458 1.099 . . . . 0.0 109.605 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.06 -28.8 8.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.441 1.759 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 6.0 tp-100 -115.53 -31.62 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.546 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -70.42 -6.92 39.19 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.722 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.7 -36.72 21.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.408 1.067 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.911 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.1 m-85 -90.19 7.25 39.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 6.4 m -116.4 -8.72 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 108.34 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.546 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -105.36 -38.91 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.646 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.76 172.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.78 14.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.654 HG23 ' HD3' ' A' ' 56' ' ' PRO . 13.6 p -165.68 87.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.944 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -98.78 120.06 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.611 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -145.7 125.98 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.68 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.1 mtp180 -76.96 39.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.571 1.169 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.006 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.9 t -63.75 163.27 11.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 14.6 ptmt -118.62 122.3 42.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.834 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.49 101.04 12.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.936 HG12 HG11 ' A' ' 78' ' ' VAL . 5.3 m -104.28 -34.87 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.515 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.0 t -116.88 161.7 18.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.051 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.2 mp0 -144.36 -176.38 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.0 ttpt -152.1 113.09 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.3 tt0 -75.0 92.05 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.585 HG13 ' HG2' ' A' ' 27' ' ' LYS . 11.5 m -99.28 95.48 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.504 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.7 m-20 -44.9 146.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.679 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -133.08 18.71 4.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.86 -175.24 23.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.525 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.2 m120 -84.66 164.87 18.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 0.754 . . . . 0.0 109.238 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' ASN . 8.4 t0 -94.52 -162.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.785 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.08 0.84 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -107.93 -0.71 21.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 -8.66 76.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.525 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -78.87 154.09 77.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 131.54 14.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.679 HG21 ' OG ' ' A' ' 31' ' ' SER . 47.1 mt -73.31 -83.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.33 123.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.639 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 2.3 ptt180 -128.82 67.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.907 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.54 143.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.5 mm-40 -86.52 -177.78 6.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.977 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.59 68.76 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.8 tt0 -62.03 71.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 1.006 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.9 pt -70.64 -176.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -119.99 10.11 11.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.568 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.0 mm100 36.8 100.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.5 ' CD1' ' OE2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -108.64 -33.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.536 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -143.93 162.83 35.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.3 OUTLIER -144.46 70.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 111.044 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.022 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.3 m-85 -36.46 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -132.02 80.94 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.179 . . . . 0.0 109.341 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.95 -160.86 10.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.573 1.17 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.654 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.02 -171.44 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -94.68 -33.6 12.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.606 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -72.84 -79.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.606 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.3 t70 148.2 165.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.393 1.058 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.768 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.7 OUTLIER -106.88 -78.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 74.23 -9.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -142.36 96.35 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.062 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -99.65 169.35 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.632 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -123.24 150.0 44.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.812 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.8 t -165.92 -163.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -107.66 153.51 41.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.907 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.01 -159.23 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.529 1.805 . . . . 0.0 111.005 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.411 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.4 OUTLIER 58.76 -168.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.975 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 0.4 OUTLIER -75.86 48.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.03 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.589 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 67.53 100.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.64 HG23 ' SG ' ' A' ' 1' ' ' CYS . 0.6 OUTLIER -109.29 -34.61 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.7 ' HA ' HD22 ' A' ' 100' ' ' LEU . 12.1 m -127.22 8.58 6.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.289 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.607 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.8 -149.94 5.13 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.904 HG23 HD12 ' A' ' 104' ' ' ILE . 87.2 t -117.67 3.83 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.561 ' OG ' ' HB2' ' A' ' 70' ' ' ALA . 90.1 p 28.34 83.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.096 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.44 129.65 50.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.587 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -117.0 -8.38 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.936 HG11 HG12 ' A' ' 24' ' ' VAL . 1.4 t 75.49 -28.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.569 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.59 -11.19 34.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.501 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -128.57 -34.21 0.54 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -95.78 -101.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.895 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.74 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.515 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -161.7 166.19 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 110.309 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.146 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.4 p90 -149.75 152.36 35.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.699 HD11 HG23 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -83.33 4.88 25.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.146 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.08 104.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.023 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.82 109.51 10.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.504 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.88 178.17 22.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.697 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -47.03 -38.69 11.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.43 176.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.536 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.6 tp10 -134.55 5.97 3.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.595 1.184 . . . . 0.0 110.345 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.02 -121.73 3.84 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.496 1.123 . . . . 0.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -130.13 144.44 51.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.484 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.52 -4.48 59.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.586 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.26 144.0 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 109.258 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.768 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -145.77 -168.35 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.632 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -130.2 128.46 41.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.588 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.062 HD13 HG21 ' A' ' 63' ' ' ILE . 4.0 pt -140.13 141.43 33.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.585 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -138.03 164.51 28.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.402 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.73 HD11 ' O ' ' A' ' 3' ' ' CYS . 1.4 pt? -58.86 -48.07 82.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.453 ' H ' HD23 ' A' ' 100' ' ' LEU . 2.6 t -61.32 -27.63 68.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 108.385 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.487 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.3 t0 -77.87 165.75 23.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.023 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.23 117.63 12.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.904 HD12 HG23 ' A' ' 74' ' ' VAL . 6.4 pt -164.99 135.08 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.699 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.57 158.6 32.65 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.615 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.98 11.19 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.68 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 19.4 t90 71.57 -61.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.94 -1.134 . . . . 0.0 107.94 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 109' ' ' THR . 32.3 t70 -69.6 53.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.684 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.4 p -158.87 -53.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.016 HD22 ' HB3' ' A' ' 114' ' ' GLN . 72.5 mt 9.48 -107.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 145.85 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.059 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.591 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 160.2 -64.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.393 1.058 . . . . 0.0 110.413 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 15.2 m -49.55 -26.03 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.176 . . . . 0.0 110.401 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.016 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -84.01 -36.28 23.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.584 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -69.23 -42.29 75.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.539 ' NZ ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -62.07 -15.06 42.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.61 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.95 -21.6 18.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.024 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.022 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 75.2 mt -63.88 -29.24 70.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -88.06 -8.86 54.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.555 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 0.1 OUTLIER -81.81 6.76 14.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.575 1.172 . . . . 0.0 109.631 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.488 ' CB ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 62.07 -85.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.554 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.2 OUTLIER -151.45 91.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.435 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 1.7 tt0 55.38 67.46 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.555 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -68.64 57.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 111.011 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 49.77 25.73 7.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -171.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 71' ' ' VAL . 27.2 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -172.76 46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.582 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.3 m -58.39 -162.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.127 . . . . 0.0 108.263 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.2 p -143.18 117.92 6.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.05 73.86 4.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.75 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -83.98 -132.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.75 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 31.42 90.86 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 0.0 109.506 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.743 ' O ' HG22 ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.01 5.06 4.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.457 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 9.1 tp-100 -142.08 -40.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.3 mt-30 -70.16 -0.94 8.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.787 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -89.2 -34.02 16.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.865 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.3 m-85 -88.98 -20.46 24.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 4.7 m -86.81 -13.45 45.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 108.36 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.91 -43.06 7.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.65 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -51.88 169.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -149.6 16.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 17' ' ' VAL . 6.2 p -164.57 82.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.914 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -97.47 120.63 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.712 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.94 125.54 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.646 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 17.4 mtp180 -77.35 41.13 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.917 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.4 t -62.65 173.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 110.339 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.619 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.5 ptmt -127.34 119.55 26.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.835 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.89 103.14 15.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.871 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.8 m -106.18 -37.04 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.516 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -110.47 167.55 10.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -152.72 -175.69 5.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.246 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.9 ttpt -152.02 115.2 4.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 1.2 tt0 -76.48 93.97 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.432 HG13 ' HG2' ' A' ' 27' ' ' LYS . 30.8 m -109.95 119.18 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 1.8 m-20 -68.13 155.33 39.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB3' HG22 ' A' ' 40' ' ' ILE . 4.4 t -137.27 20.65 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 77.75 179.31 49.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.512 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -83.3 162.94 20.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.6 t70 -94.97 -160.62 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.78 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.67 -0.15 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -108.24 -0.81 20.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.06 -9.47 74.59 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.512 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -77.21 152.89 82.07 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.04 128.91 11.83 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.554 1.818 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.474 HG22 ' HB3' ' A' ' 31' ' ' SER . 55.9 mt -65.43 -86.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 19.7 ttmm 74.97 127.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.636 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -131.83 69.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.96 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -37.98 148.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.666 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.6 mm-40 -89.81 177.31 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 1.017 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.68 67.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.516 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 11.2 tt0 -62.48 70.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.917 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.4 pt -65.7 -174.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -124.64 0.57 8.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 55.16 124.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.638 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -131.5 -33.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.472 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -151.12 165.04 35.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.537 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.3 OUTLIER -144.2 71.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.95 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.656 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -42.21 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -129.07 62.69 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.31 -159.41 12.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.498 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.08 -167.43 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -94.38 -36.22 12.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.523 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -80.21 -80.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.523 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t0 155.58 170.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.644 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.4 mm -100.14 -71.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.13 -9.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.607 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -146.64 99.25 3.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.004 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -104.52 171.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.654 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 11.1 m-85 -124.04 145.53 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.064 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.739 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.2 t -162.42 -166.54 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -103.04 149.91 37.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.96 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.05 -160.46 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.46 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.41 -160.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.74 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 47.9 t -80.21 25.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.991 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 89.89 99.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.568 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -105.92 -40.41 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.658 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 21.0 m -126.24 20.13 7.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 108.341 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.538 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -155.65 -158.49 8.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.985 HG23 HD12 ' A' ' 104' ' ' ILE . 26.0 t -113.85 -0.14 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.704 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER 32.12 88.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.05 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.073 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -103.39 133.96 47.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.54 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -116.91 -7.01 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.072 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 72.0 -53.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.468 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -49.43 -14.52 0.6 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.575 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -116.49 -35.98 1.13 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.575 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -101.26 -99.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.221 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.072 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 169.51 -83.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.558 ' O ' ' O ' ' A' ' 106' ' ' PRO . 5.7 mp0 -148.2 148.77 30.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.135 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.4 p90 -129.33 153.94 47.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.61 1.194 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.697 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.11 2.79 37.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.135 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.12 103.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.047 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.99 109.25 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.579 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -146.15 167.74 27.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.161 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.646 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.6 tttm -36.88 -34.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.65 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 81.31 176.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.53 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.4 tp10 -134.25 7.73 3.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.05 -121.92 4.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.54 145.34 51.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.589 0.817 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 76.91 -2.92 58.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.644 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.66 147.36 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 0.731 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.725 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -150.05 -168.96 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.28 132.26 50.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.567 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.004 HD13 HG21 ' A' ' 63' ' ' ILE . 10.1 pt -145.46 135.29 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.664 ' O ' HD11 ' A' ' 104' ' ' ILE . 5.9 p -135.74 163.27 30.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.582 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -62.35 -28.55 69.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -26.92 51.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 108.292 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.414 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.7 t70 -83.83 172.48 12.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.047 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -72.64 119.2 16.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.985 HD12 HG23 ' A' ' 74' ' ' VAL . 5.2 pt -165.57 134.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.618 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.69 157.64 31.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.581 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 10.62 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.463 1.77 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.519 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 15.8 t90 71.89 -59.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.646 ' O ' HG23 ' A' ' 109' ' ' THR . 25.6 t70 -68.74 51.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.7 p -158.66 -54.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.965 HD22 ' HB3' ' A' ' 114' ' ' GLN . 48.2 mt 7.43 -108.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.1 m 147.74 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.615 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.63 -65.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.435 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.743 HG22 ' O ' ' A' ' 8' ' ' PRO . 2.4 m -48.23 -24.0 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.965 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -86.88 -39.58 15.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.518 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -65.19 -38.99 92.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.521 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.5 -18.46 59.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.626 ' HA ' ' CD2' ' A' ' 120' ' ' HIS . 0.2 OUTLIER -92.81 -11.46 33.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.945 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.656 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 63.3 mt -85.02 -21.84 29.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.511 ' ND2' ' N ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -85.49 -48.63 8.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.688 ' CD2' ' O ' ' A' ' 120' ' ' HIS . 0.3 OUTLIER -78.15 49.09 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.508 ' O ' ' HB3' ' A' ' 122' ' ' TYR . 72.8 mmt-85 63.65 -72.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.52 ' O ' ' O ' ' A' ' 12' ' ' PHE . 4.4 p90 177.17 -31.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.437 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 2.2 tt0 -145.94 63.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.514 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -75.72 54.6 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 55.93 30.59 57.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.7 -171.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.243 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.927 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 17.1 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 62.59 8.85 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.468 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.9 m -60.91 172.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 108.389 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.9 p -108.66 108.5 60.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.421 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -75.04 127.3 10.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.772 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -153.73 -134.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.772 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 37.42 89.93 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.542 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.94 0.94 8.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.524 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.8 OUTLIER -136.45 -42.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.534 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -62.44 -7.96 5.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.772 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.8 -34.7 30.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.864 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.3 m-85 -90.3 2.57 55.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.489 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.6 m -110.03 -13.32 14.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 108.276 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.515 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -100.08 -41.45 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.614 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.03 170.94 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.87 12.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.798 HG21 ' SD ' ' A' ' 96' ' ' MET . 4.6 p -166.68 93.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.027 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -101.03 122.12 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.553 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.88 124.72 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.674 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 5.3 mtm180 -77.84 38.66 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.082 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.96 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.3 t -61.47 170.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.48 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 15.4 ptmt -124.49 120.49 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.884 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.68 105.0 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.74 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.3 m -106.88 -37.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.53 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -113.05 167.14 10.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -150.04 -173.41 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.677 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.0 ttpt -154.12 113.44 3.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.474 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -76.51 91.53 3.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 29' ' ' VAL . 32.0 m -106.15 108.31 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.543 ' CG ' ' HZ1' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -64.27 148.95 49.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.459 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.1 t -130.24 26.27 5.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.932 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.39 -177.35 33.17 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.565 1.165 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -84.23 163.69 19.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.5 t0 -95.39 -161.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.788 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.5 mp -80.71 0.7 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.18 -1.06 20.59 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.52 -8.64 76.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.416 1.072 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.76 152.16 77.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.9 129.23 12.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.411 1.742 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 31' ' ' SER . 54.4 mt -68.08 -89.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.543 ' HZ1' ' CG ' ' A' ' 30' ' ' ASP . 20.3 ttmm 74.04 126.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.665 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -132.14 69.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.943 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -37.94 150.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.677 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 10.9 mm-40 -92.57 178.92 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.908 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -135.7 69.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.53 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.2 tt0 -63.78 66.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.569 1.168 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.96 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.0 pt -65.8 -178.29 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 9.5 ttpt -115.55 -7.53 12.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.175 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.529 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.6 mm100 56.9 112.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.439 HG12 ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -120.57 -34.35 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.504 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -144.27 163.62 33.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.343 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.473 ' O ' ' CG ' ' A' ' 52' ' ' MET . 3.5 ptp -145.37 72.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.855 ' CE2' HD22 ' A' ' 118' ' ' LEU . 1.7 m-85 -42.81 -74.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.87 ' HB3' HG23 ' A' ' 18' ' ' VAL . 10.5 tptp -128.63 164.44 22.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.571 ' HA3' HG23 ' A' ' 17' ' ' VAL . . . 128.57 -140.82 12.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.563 1.164 . . . . 0.0 111.085 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.428 ' CD ' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.0 -165.9 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.34 -29.5 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -68.73 -80.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.555 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.2 t70 154.62 159.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.709 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.4 mm -99.87 -79.01 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HG3' ' CG ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER 75.06 -9.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -144.55 97.95 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 111.021 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.949 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.72 168.72 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.646 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.7 m-85 -120.9 154.16 36.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.805 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.5 t -167.49 -165.34 0.66 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.73 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -103.51 149.13 36.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.943 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.02 -157.95 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.82 -170.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 t -69.78 53.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.622 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 56.89 103.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.534 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -111.75 -38.97 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.927 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 24.7 m -123.0 15.0 9.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.58 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.15 -157.11 7.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.127 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.92 HG23 HD12 ' A' ' 104' ' ' ILE . 81.1 t -110.44 -0.82 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 0.802 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.622 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 15.0 p 32.51 84.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.063 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.145 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.48 140.59 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.47 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -126.93 2.02 6.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.245 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.74 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.5 t 68.95 -56.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -57.3 -9.28 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.413 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.42 -17.69 4.74 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.34 -90.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 162.72 -67.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.532 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -164.31 165.32 21.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.145 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.5 p90 -150.94 152.45 33.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.831 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.3 0.41 45.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.123 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 13.9 101.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.053 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.44 107.74 9.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.27 175.35 21.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.097 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.705 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -47.41 -31.23 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.739 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 84.38 -179.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.389 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.582 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.1 tp10 -135.72 -37.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.63 -142.05 6.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.073 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.91 129.38 54.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 79.26 3.93 88.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -170.91 134.09 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.798 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -137.79 -160.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.53 125.62 21.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.624 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.977 HD12 HG13 ' A' ' 86' ' ' ILE . 3.4 pt -139.25 139.79 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.637 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.4 p -137.51 166.07 24.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.642 ' CD2' ' H2 ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER -63.27 -33.74 76.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -29.53 63.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.257 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.422 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 14.8 t0 -78.36 170.14 17.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.053 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.7 118.01 14.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.92 HD12 HG23 ' A' ' 74' ' ' VAL . 6.7 pt -165.02 133.58 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.666 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -152.51 157.82 33.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.562 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 8.4 2.44 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' A' ' 109' ' ' THR . 10.6 t90 73.51 -58.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.989 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.61 ' O ' HG23 ' A' ' 109' ' ' THR . 18.5 t70 -68.16 51.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.8 p -158.32 -54.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.022 HD22 ' HB3' ' A' ' 114' ' ' GLN . 45.3 mt 6.51 -107.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.659 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 145.01 -39.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.616 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.57 -65.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 8' ' ' PRO . 2.5 m -49.21 -24.79 1.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.453 1.096 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.022 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -85.65 -30.7 23.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.69 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -76.16 -40.84 51.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.64 ' NZ ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -63.11 -18.66 63.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.667 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.45 -14.03 29.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.056 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.855 HD22 ' CE2' ' A' ' 53' ' ' PHE . 57.5 mt -69.99 -30.86 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -74.09 -34.51 64.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.64 ' CE1' ' NZ ' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -59.65 105.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.589 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.525 ' O ' ' CE ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -34.62 -34.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.52 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.1 OUTLIER 165.24 108.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.489 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 1.7 tt0 44.76 47.76 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.578 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -68.85 56.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 61.46 21.77 60.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.421 1.076 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.436 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -54.29 -173.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 46.04 35.54 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.55 -161.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 108.364 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.7 p -137.24 118.27 10.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.87 97.19 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.564 1.823 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.739 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.6 p -117.55 -133.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.739 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 34.44 86.51 0.13 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.638 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.795 ' O ' HG22 ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.03 4.57 4.63 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.512 1.796 . . . . 0.0 111.0 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.508 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.3 OUTLIER -141.66 -44.48 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.4 mt-30 -63.73 -6.64 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.797 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.73 -37.14 27.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.854 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 2.0 m-85 -88.03 2.42 51.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 3.1 m -111.79 -15.22 13.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.02 -40.19 8.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.603 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.95 173.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.78 15.16 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.78 HG23 ' HD3' ' A' ' 56' ' ' PRO . 10.7 p -166.47 87.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.01 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.2 120.37 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.621 HG13 HG22 ' A' ' 21' ' ' THR . 0.8 OUTLIER -145.49 124.63 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.172 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.609 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.6 tmm_? -78.63 41.48 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.856 ' CG2' HD12 ' A' ' 47' ' ' ILE . 1.1 t -63.55 175.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.514 ' HG2' HG22 ' A' ' 50' ' ' ILE . 16.3 ptmt -129.0 119.13 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.894 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.6 105.0 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.73 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.9 m -107.83 -36.21 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.0 t -115.51 163.25 16.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.055 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.2 mp0 -148.13 -176.54 5.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.2 ttpt -151.29 111.71 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.474 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -74.8 92.55 2.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.524 HG13 ' HG2' ' A' ' 27' ' ' LYS . 30.1 m -102.5 86.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -46.87 147.48 1.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.365 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.629 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.3 t -132.29 30.86 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.07 -173.27 10.19 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -83.97 165.25 18.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.3 t0 -95.64 -161.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.52 0.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -107.41 -1.93 21.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.31 -7.99 79.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -79.29 153.41 76.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.01 129.04 11.96 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.521 1.8 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 31' ' ' SER . 59.6 mt -70.52 -95.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.475 ' N ' HG22 ' A' ' 40' ' ' ILE . 25.4 ttmt 74.81 121.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.208 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.635 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -125.83 66.04 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.049 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -35.43 146.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.653 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.1 mm-40 -88.45 -179.49 6.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.932 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -138.07 66.53 1.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.484 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.0 tt0 -63.05 69.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 1.01 HD11 ' O ' ' A' ' 60' ' ' ILE . 2.0 pt -66.03 -169.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.523 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -126.64 0.03 6.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 51.66 112.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.604 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -122.38 -31.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.12 163.59 37.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.71 69.55 1.26 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.058 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.2 m-85 -37.96 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.533 1.146 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.74 73.52 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.35 -164.66 11.81 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.78 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.0 Cg_endo -75.08 -168.74 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.561 1.822 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -88.73 -36.92 15.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.651 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.31 -77.86 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.651 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.7 t70 140.87 159.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.011 HD13 ' O ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -112.08 77.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.24 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.472 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -72.87 -9.63 58.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 110.346 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 4.8 m-85 -131.96 89.95 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.973 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -92.52 168.49 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.628 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 15.7 m-85 -120.85 148.67 43.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.824 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.9 t -164.95 -166.18 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.448 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.609 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -107.08 147.84 35.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.049 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -157.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.02 -170.81 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.945 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.67 52.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 58.77 98.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.511 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -104.62 -34.82 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.631 ' O ' ' HA ' ' A' ' 99' ' ' THR . 67.3 m -134.02 21.39 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.257 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.682 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -158.37 -157.79 8.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.935 HG23 HD12 ' A' ' 104' ' ' ILE . 91.3 t -113.5 1.72 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.63 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 30.07 82.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.96 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.11 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.94 134.11 46.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.61 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -119.78 -8.7 9.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.73 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.9 t 73.92 -13.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -80.08 -9.15 86.97 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.498 1.123 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.509 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -129.91 -32.02 0.57 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.543 ' HZ1' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -96.41 -100.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 0.789 . . . . 0.0 109.25 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 164.86 -57.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -167.1 166.5 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.337 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.141 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.5 p90 -151.14 152.56 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.765 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.1 3.11 36.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.141 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.83 101.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.06 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.39 108.35 10.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.03 179.15 19.61 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.73 -32.65 14.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 0.813 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.65 174.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.527 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.3 tp10 -136.45 -42.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -155.0 -135.23 2.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.065 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 1.011 ' O ' HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -113.59 -38.81 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 59' ' ' ASP . . . -106.33 14.39 43.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.796 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -172.46 132.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 1.001 ' CG ' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -134.44 -170.74 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -122.26 130.25 53.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.973 HD13 HG21 ' A' ' 63' ' ' ILE . 6.3 pt -142.74 131.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.677 ' O ' HD11 ' A' ' 104' ' ' ILE . 7.0 p -131.43 163.82 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.509 ' CD2' ' HA ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -62.97 -28.29 69.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -28.95 49.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.439 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 24.2 t0 -80.71 170.2 16.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.06 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.35 117.79 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.935 HD12 HG23 ' A' ' 74' ' ' VAL . 6.5 pt -165.65 134.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.696 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.57 157.69 32.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.597 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.95 7.48 2.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.59 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 7.2 t90 75.49 -60.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 107.96 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.645 ' O ' HG23 ' A' ' 109' ' ' THR . 38.2 t0 -69.33 52.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.153 . . . . 0.0 109.219 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.2 p -159.08 -56.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.942 HD22 ' HB3' ' A' ' 114' ' ' GLN . 54.9 mt 10.98 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 147.23 -41.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.939 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.5 -64.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.795 HG22 ' O ' ' A' ' 8' ' ' PRO . 4.3 m -49.62 -27.33 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.942 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -82.8 -33.17 27.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.599 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -73.29 -41.95 63.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.639 ' HZ3' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -61.81 -19.83 62.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.636 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.37 -11.35 35.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.058 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 47.7 mt -72.77 -29.34 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -96.98 10.23 39.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.639 ' CD2' ' HZ3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -86.58 7.03 27.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.584 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 65.92 -66.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.836 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 1.1 p90 -176.84 94.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.468 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 2.4 tt0 53.47 56.85 6.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.558 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.81 54.41 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 55.83 29.5 55.0 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.433 ' HB3' ' ND1' ' A' ' 120' ' ' HIS . 0.7 OUTLIER -61.98 -171.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 110.233 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.579 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 2.6 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.428 ' OG ' ' C ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 72.62 2.64 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.055 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.507 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -58.29 157.4 8.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 108.276 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.8 p -103.2 107.31 55.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.061 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 125.85 9.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.782 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.776 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -152.34 -133.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.776 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.94 86.22 0.14 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.557 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.591 ' O ' HG22 ' A' ' 113' ' ' THR . 18.5 Cg_endo -74.99 0.31 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.512 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.4 OUTLIER -136.04 -43.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.483 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -62.49 -7.37 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.371 1.044 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.811 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.39 -34.98 25.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.228 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.865 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -90.54 5.04 49.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.519 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 3.5 m -114.35 -8.77 12.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.337 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.11 -39.58 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.583 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.08 172.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.98 16.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.691 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 12.5 p -165.77 83.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.033 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -97.15 118.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.703 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -143.78 124.86 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.665 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.7 mtm180 -76.97 38.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.911 HG21 HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.05 173.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HG2' HG22 ' A' ' 50' ' ' ILE . 15.1 ptmt -126.51 119.94 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.847 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.77 97.95 10.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.589 ' CG1' HG11 ' A' ' 78' ' ' VAL . 5.4 m -101.23 -36.14 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.509 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.0 t -112.39 162.29 15.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.3 mp0 -149.6 -179.33 7.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.624 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.0 ttpt -146.53 111.56 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.736 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.3 tt0 -74.08 92.11 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.485 HG13 ' HG2' ' A' ' 27' ' ' LYS . 33.6 m -107.13 118.0 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 1.4 m-20 -67.32 153.31 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.559 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.8 t -135.62 24.93 3.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.44 179.76 35.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.4 m120 -84.34 164.11 19.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.6 t70 -95.09 -161.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.784 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.75 0.88 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -108.73 -1.57 19.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.46 -8.39 79.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.524 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.5 p-10 -78.24 152.31 78.94 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.01 129.66 12.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.559 HD12 ' O ' ' A' ' 31' ' ' SER . 62.5 mt -67.12 -87.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.373 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 20.2 ttmm 75.24 128.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.67 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -132.21 65.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.998 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -36.23 144.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.67 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 9.0 mm-40 -87.57 178.87 6.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.972 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.73 67.02 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.509 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.6 tt0 -62.23 70.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.911 HD12 HG21 ' A' ' 21' ' ' THR . 3.1 pt -67.34 -175.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.429 1.081 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.6 ttpt -122.0 -1.75 9.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.469 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.34 119.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.577 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -127.74 -31.74 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.481 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.81 167.82 25.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.363 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.598 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.7 68.19 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.062 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 1.1 m-85 -37.98 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.639 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -128.36 66.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.83 -158.77 10.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.487 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.02 -177.76 3.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.482 1.78 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.52 -34.44 25.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.3 -78.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.9 t70 152.31 171.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.69 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.6 mm -97.95 -71.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.592 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.95 -8.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.225 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.6 m-85 -146.48 99.2 3.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.082 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -107.54 168.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.634 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.0 m-85 -123.39 149.49 44.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.82 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.2 t -164.63 -166.26 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.36 150.43 38.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.998 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.97 -159.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.4 OUTLIER 57.87 -168.59 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.032 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -69.6 53.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.519 ' HB2' ' C ' ' A' ' 74' ' ' VAL . . . 53.31 99.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.574 ' CG2' ' N ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -103.05 -55.84 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.735 ' O ' HG22 ' A' ' 99' ' ' THR . 79.8 m -104.19 11.09 35.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.271 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.57 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.84 -150.55 5.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.604 1.19 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.855 HG23 ' CD1' ' A' ' 104' ' ' ILE . 75.8 t -120.45 0.51 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.517 ' C ' ' O ' ' A' ' 74' ' ' VAL . 6.3 p 28.88 82.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.12 . . . . 0.0 109.939 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.986 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.57 132.33 49.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 80' ' ' GLY . 2.7 p30 -108.86 -8.95 15.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 82' ' ' LYS . 3.0 t 70.27 -52.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -48.44 -13.86 0.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -119.12 -29.66 1.75 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.525 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.23 -92.98 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.817 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.58 -86.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 8.0 mp0 -150.04 147.0 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.242 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.165 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.8 p90 -124.37 154.97 39.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.597 1.185 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.745 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.76 2.94 39.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.165 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.69 102.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.04 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.05 109.24 11.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.576 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.27 175.25 24.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -42.27 -37.82 1.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 0.746 . . . . 0.0 109.25 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.691 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 84.05 174.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.529 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.5 tp10 -134.99 9.02 3.52 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 125.1 -122.06 4.52 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.567 1.167 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 2.6 m-20 -130.15 144.75 51.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.58 -2.73 62.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.69 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.36 144.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.703 ' HE3' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -147.91 -169.57 3.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.37 128.28 44.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.082 HD13 HG21 ' A' ' 63' ' ' ILE . 2.2 pt -139.8 144.22 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -143.91 167.48 22.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.692 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -61.8 -49.34 76.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.651 ' H ' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -61.83 -18.44 60.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.38 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.428 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.0 t0 -89.63 166.6 13.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.04 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -70.28 115.83 9.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.855 ' CD1' HG23 ' A' ' 74' ' ' VAL . 7.2 pt -164.78 130.0 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.682 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -151.04 157.28 35.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.585 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.05 10.9 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.525 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 13.2 t90 71.05 -59.31 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 108.065 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 109' ' ' THR . 32.0 t0 -68.85 51.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.692 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.6 p -159.07 -54.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.002 HD22 ' HB3' ' A' ' 114' ' ' GLN . 38.9 mt 6.74 -107.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 147.06 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.5 -64.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 8' ' ' PRO . 1.6 m -49.45 -23.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.002 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -86.37 -36.1 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.246 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.644 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.3 mtmt -70.41 -42.06 72.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.592 ' NZ ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -62.11 -18.87 62.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.64 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.81 -13.14 27.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.062 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 40.6 mt -69.32 -30.03 67.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -95.57 11.2 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.605 ' CD2' ' CB ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -96.83 13.69 27.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.572 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.479 ' CA ' ' HD3' ' A' ' 54' ' ' LYS . 8.0 mmm180 54.85 -87.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.569 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 2.1 t80 -148.47 92.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.519 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 1.8 tt0 58.69 53.77 5.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.605 ' CB ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.38 55.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 58.97 27.79 62.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.6 OUTLIER -62.17 -167.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.409 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 4.2 tp10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.413 ' C ' ' N ' ' A' ' 3' ' ' CYS . 54.8 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 52.55 17.21 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 0.0 OUTLIER -74.74 161.82 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.3 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.477 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 60.0 p -83.79 113.12 45.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.3 Cg_endo -74.99 96.3 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.441 1.759 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.722 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.0 p -119.04 -132.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.722 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.57 85.68 0.15 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.642 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -16.99 19.77 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.544 1.813 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.487 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.2 OUTLIER -121.44 -41.69 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.0 mt-30 -64.14 -6.03 5.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.192 . . . . 0.0 110.328 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.47 -38.28 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.899 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -87.93 -0.75 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 8.1 m -107.31 -13.87 15.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -99.0 -40.61 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.556 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.78 171.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.32 14.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.922 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 2.7 p -164.59 87.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.055 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -99.07 118.89 46.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.589 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -145.76 125.8 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.404 1.065 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.701 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.2 ttp180 -76.67 41.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.782 HG21 HD12 ' A' ' 47' ' ' ILE . 2.1 t -62.39 169.98 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.533 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.0 ptmt -125.32 119.81 29.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.857 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.14 103.13 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.944 HG12 HG11 ' A' ' 78' ' ' VAL . 3.4 m -106.12 -38.68 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -113.44 160.91 17.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.923 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.4 mp0 -144.79 -176.52 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.341 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.5 ttpt -152.85 114.41 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.462 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.6 tt0 -74.15 91.65 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.568 HG13 ' HG2' ' A' ' 27' ' ' LYS . 5.6 m -97.64 94.09 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.516 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -44.85 144.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.669 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -132.56 18.9 4.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.014 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.03 -175.03 28.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.3 m-80 -84.63 166.57 16.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.9 t0 -96.16 -162.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.791 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.71 0.86 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.84 -0.46 19.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.58 -7.9 79.32 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.524 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.4 p-10 -78.7 153.51 78.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.05 129.25 12.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.55 1.816 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.669 HG21 ' OG ' ' A' ' 31' ' ' SER . 46.0 mt -70.27 -83.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.551 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.05 123.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.615 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -129.18 66.95 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.0 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -39.21 147.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.649 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 9.3 mm-40 -90.06 179.13 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.918 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -135.62 70.57 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.505 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 7.7 tt0 -64.79 67.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.857 HG22 ' CA ' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -63.25 -166.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.631 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -133.98 8.72 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.631 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER 47.57 117.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.562 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -123.72 -31.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -150.65 168.75 23.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.621 ' HE2' ' H ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -146.87 65.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.388 1.055 . . . . 0.0 110.968 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.633 ' CE2' HD21 ' A' ' 118' ' ' LEU . 24.7 m-85 -42.59 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.545 1.153 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.608 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -124.8 70.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.621 ' H ' ' HE2' ' A' ' 52' ' ' MET . . . -124.75 -154.25 8.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.09 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.02 -170.01 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.445 1.761 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.04 -35.5 15.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -86.2 -78.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.498 ' CG ' ' N ' ' A' ' 60' ' ' ILE . 4.0 t70 156.64 171.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.616 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.2 mm -98.22 -72.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.595 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 74.53 -9.58 1.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -146.87 97.17 2.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.03 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -105.69 167.1 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.649 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.4 m-85 -121.22 149.99 42.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.827 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.0 t -165.67 -161.82 0.53 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.358 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.576 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -107.8 152.64 41.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.0 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.93 -161.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.679 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 22.6 t -81.75 32.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 84.54 95.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.614 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -104.67 -35.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.672 ' O ' HG22 ' A' ' 99' ' ' THR . 17.8 m -127.27 9.67 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.652 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -149.73 -152.12 5.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.907 HG23 HD12 ' A' ' 104' ' ' ILE . 87.8 t -115.36 -0.25 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.644 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 32.47 84.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.056 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.165 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.45 137.12 42.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.476 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 1.1 p30 -124.21 0.08 8.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.42 1.075 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.053 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.4 t 70.58 -57.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.16 -12.86 0.89 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.561 1.163 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.475 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.73 -29.27 2.08 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.574 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -112.3 -94.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.053 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.71 -83.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.4 mp0 -146.75 159.28 43.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.165 ' CE2' HD13 ' A' ' 76' ' ' LEU . 3.1 p90 -145.07 151.33 38.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.796 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -81.39 4.43 20.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.131 HD13 ' CD1' ' A' ' 84' ' ' TYR . 0.6 OUTLIER 9.99 101.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.055 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -129.74 103.9 7.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -158.63 161.76 32.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -34.43 97.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.922 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -62.6 176.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.505 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 16.7 tp10 -126.78 8.54 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.5 -115.76 1.99 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -137.66 140.24 40.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 80.1 -0.59 83.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.06 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.616 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.01 145.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.694 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -149.97 -168.04 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -129.0 129.57 45.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.03 HD13 HG21 ' A' ' 63' ' ' ILE . 3.4 pt -140.74 149.48 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.3 OUTLIER -147.87 164.92 32.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.433 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -60.31 -48.41 81.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.53 ' H ' HD23 ' A' ' 100' ' ' LEU . 4.3 t -61.45 -24.56 66.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 108.253 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.417 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.4 t0 -82.18 167.85 18.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.031 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.14 117.09 12.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.907 HD12 HG23 ' A' ' 74' ' ' VAL . 6.2 pt -165.03 132.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.625 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.89 157.87 32.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.573 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 5.72 3.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.426 1.751 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.701 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 5.6 t90 76.99 -58.14 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 109' ' ' THR . 8.7 t0 -69.84 51.12 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.7 p -159.01 -55.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.349 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.99 HD22 ' HB3' ' A' ' 114' ' ' GLN . 48.7 mt 10.71 -107.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.79 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.595 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.12 -65.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.49 ' N ' HG22 ' A' ' 112' ' ' THR . 30.5 m -49.84 -28.89 7.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.99 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -81.26 -31.14 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.576 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -73.7 -43.22 59.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.767 ' HZ1' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -62.33 -22.47 66.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.673 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -90.65 -19.65 23.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.633 HD21 ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -66.83 -29.54 69.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.381 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 120' ' ' HIS . 27.5 p30 -79.84 -22.32 43.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.369 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.767 ' CE1' ' HZ1' ' A' ' 116' ' ' LYS . 11.8 m170 -67.29 108.49 2.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 109.646 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.468 ' O ' ' CB ' ' A' ' 122' ' ' TYR . 0.0 OUTLIER -35.02 -37.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.584 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.0 OUTLIER 164.62 106.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.465 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 2.2 tt0 44.07 56.39 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.581 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -68.98 55.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 55.03 27.06 44.04 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.434 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -59.94 -166.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.421 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 39.4 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.235 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.762 ' O ' HD21 ' A' ' 100' ' ' LEU . 7.1 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.11 47.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 101' ' ' CYS . 5.1 t -97.52 162.34 13.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.137 . . . . 0.0 108.337 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.453 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 77.9 p -97.98 110.19 54.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.04 11.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.767 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.8 p -155.54 -133.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.767 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 40.4 87.84 0.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.524 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -74.93 -2.94 13.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.515 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.6 OUTLIER -133.65 -44.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -60.42 -8.55 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.809 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.53 -34.07 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.863 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -89.68 7.59 35.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 123' ' ' GLN . 1.3 m -116.69 -13.06 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.317 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.91 -34.34 10.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.375 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.638 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -59.52 172.42 0.68 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 88' ' ' GLY . 15.3 m-20 -151.72 14.85 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.791 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 5.5 p -166.53 85.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.932 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.58 118.19 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.607 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -142.26 126.53 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.695 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.5 mtm180 -78.39 38.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.976 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.71 165.99 4.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 14.6 ptmt -120.23 121.65 39.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.831 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.75 101.17 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.728 ' CG1' HG11 ' A' ' 78' ' ' VAL . 6.7 m -104.79 -36.08 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.527 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -113.65 160.56 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -148.52 -176.33 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.1 ttpt -153.74 113.95 3.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.555 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 0.4 OUTLIER -75.12 96.11 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.338 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.561 HG13 ' HG2' ' A' ' 27' ' ' LYS . 9.6 m -103.26 80.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -44.55 140.19 2.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.552 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.9 t -126.09 32.33 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 58.28 -170.91 4.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.57 1.169 . . . . 0.0 110.955 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.513 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.9 m120 -84.31 165.49 18.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.62 -162.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.766 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.7 1.24 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -108.6 -1.12 19.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.05 -8.42 78.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.513 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.7 p-10 -78.15 152.69 79.46 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.5 Cg_endo -74.96 129.86 12.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.445 1.761 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 31' ' ' SER . 37.9 mt -74.71 -94.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.499 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 14.7 ttmt 72.13 120.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.252 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.61 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.2 ptt180 -124.53 67.47 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.555 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 1.3 mp -38.89 148.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.663 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 9.9 mm-40 -89.69 177.6 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.959 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.26 68.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.527 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 14.0 tt0 -63.4 68.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.976 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.9 pt -66.87 -174.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.588 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -121.94 9.31 9.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.588 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.9 mm100 37.94 102.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.502 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -111.46 -34.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.489 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -143.7 161.59 38.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.346 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.479 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -143.07 71.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 111.04 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.964 ' CE2' HD22 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -37.64 -78.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.922 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -128.82 70.42 1.39 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.42 -164.8 13.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.721 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.97 -174.81 2.07 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.565 1.824 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.48 -33.17 15.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.623 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -72.35 -78.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.623 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.9 t70 146.57 165.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.646 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -107.89 -79.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 74.27 -10.2 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.7 m-85 -140.95 93.77 2.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.038 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -101.21 168.21 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.663 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.7 m-85 -123.34 151.65 42.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.921 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 10.0 t -166.97 -164.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.08 . . . . 0.0 110.465 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.591 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -110.77 149.28 40.13 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.499 ' HG3' ' CG ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -75.06 -159.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER 58.68 -171.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.03 -179.939 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -68.8 54.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.719 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 54.62 95.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.603 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -101.81 -37.53 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.795 ' O ' HG22 ' A' ' 99' ' ' THR . 10.6 m -127.42 16.13 7.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 108.274 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.719 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -156.77 -151.29 5.93 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.985 HG23 HD12 ' A' ' 104' ' ' ILE . 88.6 t -118.95 4.32 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 74' ' ' VAL . 69.3 p 29.32 81.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.109 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.33 130.68 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.628 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -116.94 -10.22 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.728 HG11 ' CG1' ' A' ' 24' ' ' VAL . 3.5 t 75.0 -12.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -79.65 -9.81 86.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.501 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -131.0 -26.6 0.75 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.532 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -100.88 -99.6 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.741 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.547 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 163.92 -57.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.547 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -168.21 168.97 11.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.156 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -151.77 152.83 33.22 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.812 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.37 2.68 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.156 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.94 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.01 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.17 110.57 13.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.227 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.464 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.1 -178.82 19.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.694 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.43 -33.66 31.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.791 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 83.48 174.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.516 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.9 tp10 -133.25 4.92 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.81 -121.46 3.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.87 140.92 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 81.04 -2.58 80.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.646 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.96 144.25 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.571 0.807 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.705 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.18 -169.49 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.39 130.94 51.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.636 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.038 HD13 HG21 ' A' ' 63' ' ' ILE . 6.5 pt -142.7 139.85 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.795 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -141.58 162.75 34.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.387 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.762 HD21 ' O ' ' A' ' 1' ' ' CYS . 0.7 OUTLIER -57.04 -46.88 82.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 4.9 t -61.29 -30.07 70.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 108.291 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.407 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.7 t0 -79.1 167.08 21.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.01 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.29 115.88 9.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 111.028 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.985 HD12 HG23 ' A' ' 74' ' ' VAL . 7.1 pt -164.56 130.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.655 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.34 157.45 39.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.595 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.95 10.74 1.61 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.521 1.801 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.506 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 13.3 t90 71.62 -60.65 0.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 107.935 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.665 ' O ' HG23 ' A' ' 109' ' ' THR . 15.4 t0 -68.41 52.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.686 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.2 p -159.23 -54.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.421 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.037 HD22 ' HB3' ' A' ' 114' ' ' GLN . 60.3 mt 8.48 -107.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 146.1 -41.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.592 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.18 -66.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.524 ' N ' HG22 ' A' ' 112' ' ' THR . 1.2 m -47.78 -25.37 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.037 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -84.4 -34.67 23.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.998 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -70.24 -41.82 73.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.909 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.429 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -63.18 -19.39 64.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.595 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -93.9 -4.86 49.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.998 HD12 ' HA ' ' A' ' 115' ' ' LYS . 25.9 mt -86.02 -24.19 26.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -100.57 -6.37 25.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.612 ' CD2' ' HB2' ' A' ' 124' ' ' MET . 0.0 OUTLIER -96.84 37.18 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.61 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.45 ' CD ' ' HE2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 68.11 -93.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.549 1.156 . . . . 0.0 110.319 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.509 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 35.0 p90 -173.28 13.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.509 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 1.9 tm0? 175.67 50.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.612 ' HB2' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.08 54.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 50.72 23.11 6.42 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.594 1.183 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.6 OUTLIER -65.57 -166.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.436 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 2.5 tp10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.868 ' H1 ' ' HA ' ' A' ' 72' ' ' CYS . 55.9 m . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 55.18 13.37 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.942 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.533 ' H ' HD21 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -64.71 166.32 9.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.251 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.5 p -100.5 107.12 46.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -74.96 118.06 5.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.716 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.3 p -143.63 -133.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.716 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.3 97.73 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.573 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.477 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.2 Cg_endo -75.03 -30.97 6.55 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.5 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -115.49 -34.16 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.579 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -61.61 -12.1 14.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.812 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.45 -35.19 25.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.88 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -90.69 4.31 51.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 4.8 m -113.1 -11.6 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.579 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -101.65 -40.46 6.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.605 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.79 171.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -151.99 16.42 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.58 1.175 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.824 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 5.3 p -166.0 83.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.978 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -96.74 117.6 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.593 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -141.81 126.94 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.645 ' NH1' ' CZ2' ' A' ' 107' ' ' TRP . 7.4 mtm180 -79.55 40.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.942 HG21 HD12 ' A' ' 47' ' ' ILE . 2.4 t -60.36 175.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HG2' HG22 ' A' ' 50' ' ' ILE . 15.0 ptmt -128.53 119.74 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.798 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.53 108.26 20.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.798 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.4 m -111.7 -37.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 4.0 t -112.28 164.58 13.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.1 mp0 -147.96 -172.49 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.66 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.7 ttpt -153.24 118.79 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' C ' ' HZ2' ' A' ' 41' ' ' LYS . 5.2 tt0 -79.77 93.0 5.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.602 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 35.5 m -106.88 91.43 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.04 136.01 19.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.579 1.174 . . . . 0.0 109.237 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' HD12 ' A' ' 40' ' ' ILE . 4.7 t -116.9 36.47 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 48.17 -169.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.564 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.1 m-20 -84.86 164.77 18.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 0.739 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 2.6 t70 -97.21 -160.85 0.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -79.86 1.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -105.76 -3.04 22.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.05 -6.17 83.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.564 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 15.5 p-10 -85.47 154.41 59.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.535 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.97 129.65 12.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.777 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 31' ' ' SER . 95.2 mt -71.69 -81.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 1.022 ' HZ3' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER 72.06 120.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.541 ' N ' ' HE2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -137.24 80.48 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 110.294 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.022 HD12 ' HZ3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -53.02 153.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.944 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.66 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.0 mm-40 -89.54 178.94 6.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 110.23 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 1.115 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.74 67.42 1.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.7 tt0 -62.65 71.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.942 HD12 HG21 ' A' ' 21' ' ' THR . 2.8 pt -67.58 -175.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.6 OUTLIER -123.07 -1.07 8.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.514 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 56.2 125.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.578 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -133.87 -32.8 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -149.68 167.41 26.51 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.447 1.092 . . . . 0.0 109.197 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -146.61 68.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.102 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -37.8 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.658 ' HB3' HG23 ' A' ' 18' ' ' VAL . 9.6 tptp -127.27 65.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.2 -159.21 10.79 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.06 178.65 6.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.612 1.849 . . . . 0.0 111.034 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.87 -33.87 34.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.52 -80.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.8 t70 153.43 171.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.631 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.5 mm -98.89 -72.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.562 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 73.7 -7.97 1.48 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -146.75 96.36 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.057 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.32 169.91 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.59 ' CE2' ' OE1' ' A' ' 44' ' ' GLN . 7.6 m-85 -122.55 157.96 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.055 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 1.115 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.0 t -175.12 -160.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.682 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -109.13 147.95 36.97 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.946 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.95 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.35 -168.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.952 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.9 p -70.6 51.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.584 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 58.12 107.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.544 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -113.91 -38.52 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.868 ' HA ' ' H1 ' ' A' ' 1' ' ' CYS . 11.2 m -124.14 12.84 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.554 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -150.74 -151.38 5.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.916 HG23 HD12 ' A' ' 104' ' ' ILE . 92.4 t -115.34 -0.42 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.584 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 18.6 p 34.61 88.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.005 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -110.48 134.93 51.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.495 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -125.4 1.84 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.054 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.6 t 71.16 -57.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.13 -8.76 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -119.88 -19.45 4.04 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.498 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -126.56 -94.03 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 0.781 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.054 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.07 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 4.2 mp0 -145.78 146.66 31.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.152 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -128.29 154.6 45.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.765 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.7 2.6 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.152 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.77 102.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.94 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.065 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.84 110.61 13.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.602 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.44 -179.37 19.25 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.516 1.135 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.9 tttm -56.43 -22.85 34.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 0.733 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.824 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 76.36 177.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.539 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.7 tp10 -135.61 -42.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.593 ' O ' ' C ' ' A' ' 93' ' ' ASP . . . 165.78 126.12 0.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.593 ' C ' ' O ' ' A' ' 92' ' ' GLY . 1.4 m-20 -24.49 133.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.75 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 87.05 -6.09 83.96 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.558 1.161 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.631 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -174.19 143.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 0.801 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.692 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.85 -170.08 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 129.59 45.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.533 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.057 HD13 HG21 ' A' ' 63' ' ' ILE . 4.4 pt -140.71 141.83 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.583 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.8 OUTLIER -139.86 163.41 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.461 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.684 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -57.78 -43.34 85.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.615 1.197 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -64.47 -33.11 75.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 108.301 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.458 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 6.2 t0 -74.52 166.96 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.065 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.48 117.81 12.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.916 HD12 HG23 ' A' ' 74' ' ' VAL . 6.4 pt -164.88 134.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.632 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.09 156.98 31.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.588 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -74.96 11.1 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.047 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.645 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 11.8 t90 71.13 -59.77 0.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 108.048 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.662 ' O ' HG23 ' A' ' 109' ' ' THR . 25.6 t0 -68.64 51.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.693 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.1 p -159.09 -52.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.045 HD22 ' HB3' ' A' ' 114' ' ' GLN . 43.1 mt 6.93 -106.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.65 -41.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.617 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.25 -60.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.607 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 44.8 m -53.13 -23.58 8.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.045 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -86.35 -36.57 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.328 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.631 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.2 mtmt -69.07 -40.04 78.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.223 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.607 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 1.1 pttt -63.14 -17.35 62.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.639 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.92 -14.26 24.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.102 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 48.0 mt -69.71 -29.7 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -92.14 -3.19 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 124' ' ' MET . 0.6 OUTLIER -82.85 10.38 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.587 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 15.1 mmt180 57.37 -81.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.886 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.1 OUTLIER -154.34 97.04 1.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.439 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 2.0 tt0 51.06 61.2 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.515 ' HB2' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -68.67 57.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 -179.929 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.54 26.91 32.59 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.414 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -58.71 -169.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.981 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.48 38.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.624 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.2 t -55.11 162.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 108.299 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.47 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 87.3 p -99.68 116.44 64.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.481 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.98 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.744 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.0 p -133.31 -133.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.744 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 39.26 84.31 0.18 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.569 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 1.83 7.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.591 1.837 . . . . 0.0 110.946 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.482 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.4 OUTLIER -136.05 -43.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.7 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -63.91 -7.63 8.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.279 -179.942 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.781 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.4 -34.75 28.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.89 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -90.45 4.88 49.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.6 m -113.71 -12.33 12.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 108.345 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.7 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -101.79 -38.94 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.56 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.52 169.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.84 13.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.842 HG21 ' SD ' ' A' ' 96' ' ' MET . 13.6 p -166.04 91.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.006 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -101.03 117.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.564 HG13 HG22 ' A' ' 21' ' ' THR . 0.7 OUTLIER -143.24 126.28 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.671 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.4 ttp180 -78.76 39.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.885 ' CG2' HD12 ' A' ' 47' ' ' ILE . 1.3 t -61.21 175.16 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.552 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.7 ptmt -129.16 118.86 23.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.899 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.05 104.65 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.693 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.8 m -107.54 -34.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.239 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -117.49 167.22 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.954 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -150.78 -179.72 7.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.639 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.6 ttpt -146.63 111.07 5.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.455 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 10.5 tt0 -73.77 90.02 1.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.165 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.532 HG23 ' HG3' ' A' ' 42' ' ' ARG . 33.7 m -103.6 124.81 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.82 161.46 23.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.452 ' HB3' HG22 ' A' ' 40' ' ' ILE . 9.8 t -147.92 18.29 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 79.17 176.28 48.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.539 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 6.5 m-20 -84.61 162.6 19.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.8 t70 -93.56 -162.55 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.765 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.0 0.99 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -108.08 -1.07 20.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.38 -8.16 78.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.539 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.4 p-10 -79.3 153.64 76.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.92 130.58 13.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 31' ' ' SER . 26.4 mt -64.12 -80.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.633 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.8 tppt? 72.27 125.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.676 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -129.81 64.13 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.994 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -35.55 141.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.676 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.5 mm-40 -85.22 -179.51 7.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.942 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.35 67.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.9 tt0 -62.53 70.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.899 HG22 ' CA ' ' A' ' 23' ' ' ALA . 2.5 pt -67.12 -168.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -128.81 0.92 5.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.513 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 55.12 121.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.646 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -128.74 -30.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.418 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 1.5 tttt -150.59 166.59 29.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.461 ' HG3' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.44 60.91 1.22 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.459 1.1 . . . . 0.0 111.063 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.531 ' CE2' HD21 ' A' ' 118' ' ' LEU . 20.7 m-85 -37.39 -82.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.635 ' HB3' HG23 ' A' ' 18' ' ' VAL . 14.7 tptt -120.71 68.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -125.61 -159.13 10.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.686 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.03 -173.7 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.36 -33.95 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.22 -80.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.3 t70 152.78 169.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.609 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.4 mm -103.33 -73.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER 74.51 -8.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.607 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -148.74 94.03 2.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.384 1.053 . . . . 0.0 110.952 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.055 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -99.78 170.2 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.716 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -121.38 148.63 44.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.072 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.807 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.2 t -163.41 -164.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.58 ' HB1' HG22 ' A' ' 71' ' ' VAL . . . -105.72 150.93 39.7 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.994 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.94 -158.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.48 -159.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.939 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.751 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 61.2 p -81.74 24.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 91.9 95.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.58 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -101.32 -38.03 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.808 ' O ' HG22 ' A' ' 99' ' ' THR . 0.1 OUTLIER -131.49 23.98 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 108.324 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.557 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -157.92 -157.24 8.33 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.904 HG23 HD12 ' A' ' 104' ' ' ILE . 88.0 t -116.35 0.46 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 0.8 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 74' ' ' VAL . 53.2 p 32.3 81.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 109.959 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.087 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.19 132.31 48.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.552 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -118.76 -7.24 10.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 23' ' ' ALA . 4.1 t 71.38 -9.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -84.4 -6.55 85.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.512 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -134.18 -31.17 0.38 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.565 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -95.45 -100.89 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.486 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 165.98 -64.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.554 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -161.37 163.98 30.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.138 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.5 p90 -149.96 151.09 32.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.812 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -82.43 2.76 31.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.138 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.97 98.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.04 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -124.83 106.28 9.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.444 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -139.36 176.12 21.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.674 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.64 -29.74 7.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 81.69 179.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.594 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.3 tp10 -132.89 -37.59 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.0 -133.89 2.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -113.05 133.79 54.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.94 -9.4 60.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.607 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -164.92 143.97 6.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.842 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -140.97 -160.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.079 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.716 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -136.82 125.91 24.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.055 HD13 HG21 ' A' ' 63' ' ' ILE . 2.1 pt -140.28 146.89 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -147.25 165.11 31.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.084 . . . . 0.0 110.38 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -59.26 -49.13 79.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.466 ' H ' HD23 ' A' ' 100' ' ' LEU . 3.3 t -60.33 -23.93 64.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 108.257 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.468 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.6 t0 -84.41 168.75 15.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.04 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -71.99 114.05 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.904 HD12 HG23 ' A' ' 74' ' ' VAL . 7.5 pt -163.15 132.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.595 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -152.75 157.72 33.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.372 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.583 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.6 Cg_endo -74.9 7.11 2.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.812 ' HD1' HD12 ' A' ' 85' ' ' LEU . 1.7 t90 74.91 -57.99 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.607 ' O ' HG23 ' A' ' 109' ' ' THR . 8.7 t70 -69.37 51.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.893 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.2 p -158.71 -56.82 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.404 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.014 HD22 ' HB3' ' A' ' 114' ' ' GLN . 52.9 mt 12.29 -106.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.665 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.0 m 144.61 -41.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.605 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.41 -63.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.337 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 23.4 m -51.53 -25.96 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.014 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -83.51 -33.27 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.641 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -72.8 -42.64 63.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.47 ' NZ ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -63.08 -21.21 66.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.4 -13.83 27.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.968 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.531 HD21 ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -73.42 -26.36 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.28 11.7 38.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.549 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 0.0 OUTLIER -95.15 20.35 9.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.166 . . . . 0.0 109.62 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER 56.18 -85.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.794 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 1.0 OUTLIER -156.34 93.78 1.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.92 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.447 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 1.6 tt0 57.06 57.57 4.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.549 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -73.09 53.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.9 33.44 78.59 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.522 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.7 OUTLIER -75.32 -160.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.522 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 29.6 tt0 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.579 ' SG ' HG23 ' A' ' 71' ' ' VAL . 24.3 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER 161.07 58.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.613 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -86.68 168.84 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.282 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.0 p -106.27 124.16 36.68 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.955 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.439 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.97 96.31 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.735 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.1 p -120.85 -132.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.735 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 37.86 84.2 0.19 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 3.36 5.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 113' ' ' THR . 0.4 OUTLIER -139.39 -44.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 110.244 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.6 mt-30 -64.12 -6.18 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.801 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.2 -37.45 23.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.918 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -87.84 -0.66 57.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.455 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 11.8 m -108.42 -12.34 15.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.296 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -100.13 -39.04 8.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.347 179.933 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.601 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.44 175.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -157.76 18.74 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.785 HG23 ' HD3' ' A' ' 56' ' ' PRO . 12.1 p -167.36 78.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.93 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -92.82 120.11 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.651 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.08 124.21 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.5 tmm_? -77.46 41.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.899 ' CG2' HD12 ' A' ' 47' ' ' ILE . 1.4 t -63.54 173.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.419 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.515 ' HE2' ' CG1' ' A' ' 24' ' ' VAL . 17.3 ptmt -126.29 117.54 23.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.912 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.77 97.62 10.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.566 ' CG1' HG11 ' A' ' 78' ' ' VAL . 16.2 m -102.91 -36.64 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.479 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 11.1 t -112.35 157.56 20.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -142.33 -173.66 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.39 1.056 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.4 ttpt -154.87 123.87 6.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 17.5 tt0 -81.18 97.73 7.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.523 HG13 ' HG2' ' A' ' 27' ' ' LYS . 6.5 m -106.15 104.47 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.495 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -53.42 149.55 7.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.669 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -137.83 20.53 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.999 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.6 -177.16 22.73 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.5 m120 -83.86 165.89 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -95.53 -161.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.779 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.16 0.68 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -108.61 -1.12 19.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.33 -8.67 78.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.529 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.22 153.9 79.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.07 129.08 11.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.669 HG21 ' OG ' ' A' ' 31' ' ' SER . 45.5 mt -68.89 -82.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.23 122.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.583 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.1 ptt180 -130.45 69.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.819 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -39.61 156.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.698 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 10.7 mm-40 -96.21 -177.69 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.868 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.91 67.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 11.0 tt0 -62.9 68.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.912 HG22 ' CA ' ' A' ' 23' ' ' ALA . 2.4 pt -67.75 -170.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.521 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -125.52 0.97 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.521 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.8 mm100 47.94 106.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 110.258 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.552 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -115.31 -34.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -141.43 158.69 43.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.471 ' CG ' HG22 ' A' ' 19' ' ' ILE . 26.5 ttm -141.26 70.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.062 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.72 ' CE1' HD22 ' A' ' 118' ' ' LEU . 22.6 m-85 -42.27 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 111.054 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.06 77.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.23 -161.8 11.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.785 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.01 -170.49 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -94.39 -33.98 12.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.377 1.048 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -75.76 -82.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.611 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.0 t70 154.71 166.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.592 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -106.06 -79.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.493 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 72.37 -7.28 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -144.68 93.97 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.009 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -101.33 169.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.654 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 11.3 m-85 -121.39 154.31 36.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.825 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.0 t -175.14 -168.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.406 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -87.95 154.32 52.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.819 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.13 -62.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.549 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -39.69 167.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.031 179.943 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.747 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 20.5 t -35.11 -36.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 156.99 94.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.604 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -102.32 -35.66 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.791 ' O ' HG22 ' A' ' 99' ' ' THR . 29.4 m -131.36 20.2 4.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.588 1.18 . . . . 0.0 108.348 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.74 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -161.06 -154.25 7.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.443 1.09 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.859 HG23 ' CD1' ' A' ' 104' ' ' ILE . 90.6 t -118.78 -7.25 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.58 ' OG ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 34.37 84.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.967 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.1 131.69 51.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.559 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 3.1 p30 -104.69 -12.23 16.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 82' ' ' LYS . 3.6 t 72.54 -43.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -55.76 -10.12 3.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -124.74 -25.36 1.57 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.486 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -105.83 -92.84 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.797 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.737 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.13 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.936 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.565 ' O ' ' O ' ' A' ' 106' ' ' PRO . 11.7 mp0 -151.16 149.63 29.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.155 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -127.5 154.78 44.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.72 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -85.29 4.11 36.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.155 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.18 103.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.018 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.07 110.18 11.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.659 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.11 170.3 26.57 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.419 1.074 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.683 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -39.73 -35.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.344 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.48 176.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.546 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.7 tp10 -135.24 6.71 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.31 -123.69 4.67 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.35 144.81 51.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.485 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.54 -4.59 59.52 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.592 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.38 146.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.34 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.702 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.46 -167.85 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -127.93 127.55 43.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.628 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.009 HD13 HG21 ' A' ' 63' ' ' ILE . 3.8 pt -140.25 134.76 35.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -134.94 168.74 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.384 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.613 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -62.75 -44.45 96.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.441 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -64.32 -25.59 68.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 108.339 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.433 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.8 t0 -81.61 170.26 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.018 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -74.32 117.93 16.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.859 ' CD1' HG23 ' A' ' 74' ' ' VAL . 6.6 pt -164.5 134.03 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.618 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.69 157.13 32.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.6 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 10.82 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.51 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.5 t90 72.02 -59.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 109' ' ' THR . 46.3 t0 -69.32 52.39 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.7 p -158.97 -55.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.383 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.993 HD22 ' HB3' ' A' ' 114' ' ' GLN . 44.5 mt 10.09 -106.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.26 -41.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.599 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.6 -63.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.464 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 43.7 m -51.79 -25.05 6.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.993 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -84.59 -33.09 23.44 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.76 ' HA ' HD12 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -72.96 -41.85 63.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.512 ' HZ1' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -63.41 -20.8 65.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.608 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.47 -18.86 25.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 115' ' ' LYS . 0.4 OUTLIER -69.77 -28.38 65.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.407 1.067 . . . . 0.0 109.342 179.92 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 116' ' ' LYS . 1.4 p-10 -88.73 -5.71 57.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.57 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 1.0 OUTLIER -89.19 23.69 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.589 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.434 ' C ' ' HG2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER 48.6 -93.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.249 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.745 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 6.0 p90 -142.58 94.04 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 125' ' ' GLY . 2.3 tt0 55.59 62.8 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.57 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -66.75 58.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 53.72 23.95 23.6 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.511 1.132 . . . . 0.0 111.086 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -57.16 -169.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 179.981 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.608 ' O ' HD21 ' A' ' 100' ' ' LEU . 1.1 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.96 38.53 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.745 ' O ' HD11 ' A' ' 100' ' ' LEU . 3.7 t -73.81 177.0 5.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 108.283 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -120.88 123.95 27.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.958 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 121.53 6.62 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.737 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.2 p -142.8 -133.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.737 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 34.32 88.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 5.56 3.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.605 ' HB2' HG22 ' A' ' 113' ' ' THR . 0.5 OUTLIER -142.99 -46.18 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.496 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -59.38 -9.63 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 110.344 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.826 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.55 -33.44 28.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.855 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -90.96 6.59 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.477 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.6 m -115.84 -9.53 11.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 108.296 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.29 -38.97 6.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.645 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -51.97 171.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.392 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.44 14.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.783 HG21 ' SD ' ' A' ' 96' ' ' MET . 10.8 p -166.67 84.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.031 HG13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.56 121.11 46.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.542 HD11 ' HE2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -145.86 125.36 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.676 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.2 ttp180 -77.54 38.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.857 HG21 HD12 ' A' ' 47' ' ' ILE . 2.0 t -60.23 178.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.513 ' HG2' HG22 ' A' ' 50' ' ' ILE . 13.9 ptmt -132.65 118.88 19.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.849 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.52 106.8 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.847 HG12 HG11 ' A' ' 78' ' ' VAL . 2.3 m -109.05 -35.31 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.502 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.95 168.05 10.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.0 mp0 -151.87 174.66 13.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.662 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.0 ttpt -139.18 111.8 7.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.619 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.2 tt0 -73.9 93.92 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.511 HG13 ' HG2' ' A' ' 27' ' ' LYS . 34.7 m -108.71 112.75 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.664 ' CG ' ' HZ3' ' A' ' 41' ' ' LYS . 2.2 m-20 -61.82 155.42 23.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.526 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.8 t -139.51 21.29 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.01 -178.87 36.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.523 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.2 m120 -84.75 162.47 19.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 0.784 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.5 t0 -93.79 -162.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.767 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -80.34 0.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -107.88 -1.87 20.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.26 -8.74 77.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.523 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.7 p-10 -78.79 153.29 78.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.06 130.08 12.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.45 1.763 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 31' ' ' SER . 67.0 mt -68.91 -82.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.664 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 20.9 ttmm 68.44 125.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.63 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -129.01 71.81 1.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.048 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -43.5 143.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.662 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.6 mm-40 -86.14 -179.74 6.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 1.012 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.68 67.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 15.0 tt0 -61.64 71.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.857 HD12 HG21 ' A' ' 21' ' ' THR . 2.7 pt -68.48 -171.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -126.04 1.14 7.25 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.497 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 53.76 115.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.564 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -126.5 -25.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.497 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -155.87 163.51 39.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.448 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -145.82 69.11 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 111.075 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.104 ' CE2' HD22 ' A' ' 118' ' ' LEU . 2.0 m-85 -38.86 -78.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -128.8 78.02 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.2 -155.68 7.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.105 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.578 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.02 -174.15 1.83 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.443 1.759 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -93.37 -32.61 14.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -78.25 -79.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 5.0 t70 151.62 169.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.643 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.6 mm -101.85 -73.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.55 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 73.66 -8.16 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.621 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -149.48 96.55 2.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 0.0 111.059 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.965 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -102.12 169.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.925 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.714 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -119.27 153.33 35.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 1.012 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 10.1 t -169.89 -159.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -109.88 149.83 40.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.048 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.0 -159.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.797 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.428 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.7 OUTLIER 55.21 -171.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.943 179.961 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 p -70.42 53.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.619 ' HB2' ' OG ' ' A' ' 75' ' ' SER . . . 60.99 100.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.682 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -110.6 -27.29 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.744 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 8.7 m -136.36 10.52 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.586 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -149.31 -152.4 5.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.122 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.825 HG23 ' CD1' ' A' ' 104' ' ' ILE . 51.4 t -114.22 -2.3 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.368 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.619 ' OG ' ' HB2' ' A' ' 70' ' ' ALA . 88.2 p 36.29 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.982 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -110.91 135.09 51.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.453 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -125.04 2.36 7.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.248 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.92 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 70.09 -55.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -56.58 -11.67 5.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.418 1.074 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.444 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -117.47 -25.5 3.15 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -116.43 -91.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 0.736 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.92 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 161.17 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.553 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -151.73 161.98 41.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.145 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -149.45 152.76 36.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.807 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -83.31 1.51 40.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.145 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 12.05 99.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.031 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -126.02 108.42 11.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.569 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.68 171.01 24.95 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.4 tttm -43.44 -32.68 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 0.812 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.03 179.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.574 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -131.93 -38.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.64 -133.14 2.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -113.51 133.72 55.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.13 -3.43 71.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.621 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -168.61 140.77 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 0.0 109.368 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.783 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -138.9 -159.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.714 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -140.23 125.42 18.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.968 HD12 HG13 ' A' ' 86' ' ' ILE . 1.5 pt -139.94 146.87 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -142.42 165.38 27.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.745 HD11 ' O ' ' A' ' 3' ' ' CYS . 1.1 pt? -58.69 -48.41 81.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.461 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -61.37 -30.17 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.259 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.48 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 9.1 t0 -75.05 165.37 25.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.409 1.068 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.962 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -69.95 114.53 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.835 HG22 ' HA ' ' A' ' 86' ' ' ILE . 7.0 pt -163.23 128.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.481 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.68 157.45 38.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.568 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 6.6 3.28 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.44 1.758 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.807 ' HD1' HD12 ' A' ' 85' ' ' LEU . 1.7 t90 75.33 -57.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.582 ' O ' HG23 ' A' ' 109' ' ' THR . 38.1 t0 -69.27 50.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.71 ' O ' ' C ' ' A' ' 110' ' ' LEU . 12.9 p -158.18 -54.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.022 HD22 ' HB3' ' A' ' 114' ' ' GLN . 39.9 mt 5.02 -106.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.9 m 146.12 -41.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.592 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.37 -65.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.462 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.605 HG22 ' HB2' ' A' ' 9' ' ' GLN . 32.1 m -49.01 -22.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.022 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -88.08 -34.71 17.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.296 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.89 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -71.32 -39.7 71.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.498 ' O ' ' OD1' ' A' ' 119' ' ' ASN . 0.0 OUTLIER -63.61 -15.34 57.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.601 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -99.65 -9.0 23.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.104 HD22 ' CE2' ' A' ' 53' ' ' PHE . 3.4 mt -87.8 -27.44 22.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.498 ' OD1' ' O ' ' A' ' 116' ' ' LYS . 1.2 p-10 -74.79 -26.77 59.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.57 ' CD2' ' SD ' ' A' ' 124' ' ' MET . 1.0 OUTLIER -91.07 159.46 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.642 179.92 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.439 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -38.19 -91.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.535 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 0.6 OUTLIER -156.64 10.77 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 0.7 OUTLIER 174.64 48.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.57 ' SD ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -68.19 55.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 66.68 8.34 46.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.432 1.083 . . . . 0.0 111.031 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.418 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -63.18 161.5 13.49 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.434 ' N ' ' HG2' ' A' ' 9' ' ' GLN . 1.3 tp10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.216 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.936 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 79.5 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.89 49.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.916 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.403 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -100.63 157.62 16.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 108.341 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.5 p -99.31 110.14 57.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 128.34 11.47 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.529 1.805 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.746 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.5 p -156.17 -133.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.746 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.7 OUTLIER 39.01 85.85 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.609 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.61 ' O ' HG22 ' A' ' 113' ' ' THR . 18.3 Cg_endo -74.99 1.29 7.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.535 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.7 OUTLIER -136.13 -45.51 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.449 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -60.41 -8.07 2.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 110.308 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.798 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.99 -33.84 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.398 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.854 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -91.38 6.03 46.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.6 m -115.69 -8.96 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.449 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -104.88 -40.15 6.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.585 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.66 170.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.53 14.55 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.746 HG21 ' SD ' ' A' ' 96' ' ' MET . 11.3 p -166.33 89.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.996 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -99.88 117.59 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.635 HD12 ' OE1' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -142.2 126.15 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 1.3 tmm_? -77.82 38.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.977 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.0 t -60.95 167.47 2.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.538 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 16.2 ptmt -122.25 120.73 34.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.872 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.28 102.91 15.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.686 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.9 m -104.77 -36.44 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.518 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -115.8 169.06 9.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.903 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.459 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -152.96 177.38 10.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.657 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -141.23 112.05 7.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.631 ' HG2' ' HZ2' ' A' ' 41' ' ' LYS . 1.9 tt0 -75.0 91.66 2.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.465 HG13 ' HG2' ' A' ' 27' ' ' LYS . 32.0 m -107.5 129.94 60.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.29 157.29 32.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.452 ' HB3' HG22 ' A' ' 40' ' ' ILE . 3.2 t -140.52 20.82 2.37 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.434 1.084 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 78.42 177.33 48.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.426 1.078 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.2 m120 -83.98 162.97 20.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 0.818 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.7 t0 -94.51 -162.43 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.03 0.16 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.38 -0.47 20.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.53 -9.43 73.6 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.518 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.2 p-10 -77.08 152.35 82.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.98 129.76 12.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.426 1.751 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 31' ' ' SER . 50.0 mt -65.43 -85.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.631 ' HZ2' ' HG2' ' A' ' 28' ' ' GLU . 18.3 ttmm 72.98 129.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.719 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -131.8 67.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.992 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -36.81 140.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.719 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.5 mm-40 -83.61 -178.8 7.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.92 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.53 70.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.5 tt0 -63.77 67.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.977 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.5 pt -66.47 -171.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.615 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -124.68 8.34 8.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.944 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.635 ' OE1' HD12 ' A' ' 19' ' ' ILE . 10.2 mm100 38.84 105.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.597 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -115.03 -34.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.082 . . . . 0.0 109.358 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -141.34 160.02 40.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.929 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.463 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -143.64 67.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.64 ' CE1' HD22 ' A' ' 118' ' ' LEU . 29.6 m-85 -38.82 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.616 ' HB3' HG23 ' A' ' 18' ' ' VAL . 14.8 tptt -122.64 74.91 1.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.2 -163.73 11.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.738 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.97 -165.36 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.434 1.755 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.9 -34.22 10.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -73.42 -80.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.586 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.8 t70 150.54 163.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.755 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.1 mm -105.8 -80.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.482 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 76.66 -9.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.592 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -143.4 98.43 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.39 1.057 . . . . 0.0 111.056 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.979 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -103.65 170.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.629 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -123.28 150.15 43.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.792 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.8 t -163.9 -162.32 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.739 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -106.72 150.77 40.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.992 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.5 m 56.82 -171.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.41 55.79 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.564 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 55.29 97.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.572 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -105.84 -45.82 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.936 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 7.6 m -114.87 15.55 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.604 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -154.57 -150.13 5.44 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.89 HG23 HD12 ' A' ' 104' ' ' ILE . 87.0 t -118.94 0.81 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.262 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.564 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 4.8 p 31.47 84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.97 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.139 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.48 135.64 45.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.465 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -122.24 2.41 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.686 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.8 t 68.52 -55.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -57.6 -10.17 5.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.456 ' HA3' ' NZ ' ' A' ' 81' ' ' LYS . . . -119.2 -16.97 5.06 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -123.34 -89.9 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 161.99 -67.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.907 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.546 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -164.79 166.18 20.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.139 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.5 p90 -152.08 151.71 31.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.789 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.77 2.5 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.103 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.66 99.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.041 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -123.53 105.99 10.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.667 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.53 160.1 26.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.724 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 9.1 tttt -36.66 -33.59 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 0.731 . . . . 0.0 109.304 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 87.86 -177.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 15.7 tp10 -134.22 -37.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.82 -136.33 3.56 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.65 132.76 54.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 76.79 1.33 71.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -169.9 131.93 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.755 ' CG ' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -131.71 -159.02 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.623 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -142.4 123.38 14.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.016 HD12 HG13 ' A' ' 86' ' ' ILE . 1.7 pt -137.65 147.26 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -144.72 167.15 23.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.404 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.614 HD21 ' O ' ' A' ' 1' ' ' CYS . 0.4 OUTLIER -60.22 -44.9 94.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -31.46 72.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 108.312 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -75.13 166.38 23.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.041 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.91 115.18 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.89 HD12 HG23 ' A' ' 74' ' ' VAL . 7.4 pt -162.53 133.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.667 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -151.64 156.82 34.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.604 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.1 10.03 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.409 1.742 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.418 ' CZ3' ' NH1' ' A' ' 20' ' ' ARG . 9.4 t90 73.12 -59.8 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.682 ' O ' HG23 ' A' ' 109' ' ' THR . 30.5 t70 -70.25 53.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 108' ' ' ASP . 3.9 p -159.63 -56.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.033 HD22 ' HB3' ' A' ' 114' ' ' GLN . 56.6 mt 9.77 -106.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.14 -42.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.585 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.75 -64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.379 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 8' ' ' PRO . 1.3 m -50.17 -26.25 4.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.452 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.033 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -83.21 -35.2 25.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.614 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.34 -42.33 72.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.545 ' NZ ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -63.06 -19.63 64.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.618 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.54 -12.61 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.64 HD22 ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -76.82 -23.1 52.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -102.45 8.92 39.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.074 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 124' ' ' MET . 0.1 OUTLIER -89.12 15.78 8.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.561 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.29 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.829 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 1.1 p90 -171.2 93.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.433 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 1.9 tt0 57.4 53.99 7.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.573 ' HB2' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.31 53.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.948 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 60.05 26.09 62.92 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -169.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.396 1.06 . . . . 0.0 110.307 -179.911 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.7 ' O ' HD21 ' A' ' 100' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.537 ' C ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -28.09 93.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.52 1.138 . . . . 0.0 109.95 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 1' ' ' CYS . 36.0 t -147.33 141.68 26.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 108.296 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.8 p -65.61 110.04 3.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.468 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.5 Cg_endo -74.96 98.87 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.538 1.81 . . . . 0.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.742 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.2 p -125.66 -132.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.742 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 43.32 82.02 0.24 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -74.99 -1.72 11.59 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.6 OUTLIER -135.01 -44.52 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.698 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -60.58 -8.02 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.361 179.96 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.808 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.86 -34.25 30.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.866 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -91.82 5.58 49.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.7 m -115.02 -8.8 12.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 108.265 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.698 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -106.62 -39.94 5.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.369 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.56 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.05 171.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.22 15.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.672 HG23 ' HD3' ' A' ' 56' ' ' PRO . 11.1 p -166.0 88.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.032 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.76 117.51 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.909 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.677 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -143.48 125.12 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.679 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.5 mtp180 -77.5 40.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.889 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -60.91 176.0 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.454 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.618 ' HG2' HG22 ' A' ' 50' ' ' ILE . 13.7 ptmt -129.41 120.47 25.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.819 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.96 107.01 18.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.847 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.5 m -110.06 -36.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.5 t -112.48 170.02 8.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.043 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -152.32 -175.67 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.638 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.1 ttpt -149.82 114.51 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.533 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 4.7 tt0 -73.45 92.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.489 HG13 ' HG2' ' A' ' 27' ' ' LYS . 34.4 m -107.1 111.09 34.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.43 150.96 47.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.209 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.547 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.9 t -134.06 28.73 3.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.9 -176.98 28.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.6 m120 -85.07 165.69 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.3 t70 -96.87 -162.33 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.796 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.4 mp -80.23 -0.12 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -107.87 -0.94 21.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.63 -7.96 79.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.501 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 6.7 p-10 -78.4 152.07 78.29 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.0 128.46 11.5 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.612 1.849 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 31' ' ' SER . 39.0 mt -66.58 -89.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.533 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 19.7 ttmm 73.01 126.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.661 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -133.83 72.62 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -39.75 148.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.661 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 9.0 mm-40 -87.16 -176.85 5.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.974 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.2 OUTLIER -136.89 68.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 16.2 tt0 -62.65 70.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.289 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.889 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.2 pt -65.97 -172.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -126.23 1.4 7.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.527 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.33 124.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.641 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -131.84 -30.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.515 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -153.55 168.22 26.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.221 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.521 ' HA ' HG22 ' A' ' 19' ' ' ILE . 1.3 ptt? -145.65 64.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.969 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -35.88 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.505 1.128 . . . . 0.0 110.928 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.669 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -128.08 66.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.44 -157.3 9.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.99 -177.06 3.2 Favored 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.562 1.822 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -90.08 -32.54 16.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.47 -79.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 151.49 170.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.619 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.2 mm -102.35 -71.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 73.53 -6.43 1.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.611 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -148.79 100.18 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.011 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -107.44 172.69 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.622 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 11.3 m-85 -119.57 156.39 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.974 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.1 t -176.67 -167.04 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.432 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.494 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -89.75 146.96 36.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' A' ' 68' ' ' SER . 18.3 Cg_endo -74.91 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.567 ' O ' ' O ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -47.55 -171.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.006 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.3 p -66.94 56.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 109.96 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.741 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 58.2 92.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.549 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.8 OUTLIER -107.38 -26.91 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.752 ' O ' HG22 ' A' ' 99' ' ' THR . 12.8 m -134.43 12.21 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.502 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -148.38 -152.58 5.73 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.515 1.134 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.942 HG23 HD12 ' A' ' 104' ' ' ILE . 73.3 t -113.09 -10.7 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.741 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 14.1 p 43.66 83.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.152 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -108.29 133.8 52.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.231 -179.937 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.506 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -120.82 -0.17 10.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.053 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 72.22 -56.07 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -53.95 -9.81 1.47 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.536 1.147 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.478 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -119.21 -28.41 2.0 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.478 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -114.89 -94.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.366 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.053 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.57 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.581 ' O ' ' O ' ' A' ' 106' ' ' PRO . 2.0 mp0 -146.48 153.84 40.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.152 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.4 p90 -137.22 153.03 50.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.726 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.9 3.4 30.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.145 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.06 103.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.05 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.92 108.72 10.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.513 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -144.51 176.3 23.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.7 -38.39 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.27 175.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.526 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 9.6 tp10 -134.88 7.69 3.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.22 -121.85 4.23 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.443 1.09 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.06 144.93 51.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 77.79 -3.8 59.29 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.501 1.125 . . . . 0.0 111.05 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.81 144.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.359 179.908 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.716 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.08 -169.1 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -127.44 130.11 48.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.622 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.011 HD13 HG21 ' A' ' 63' ' ' ILE . 12.0 pt -142.54 139.14 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -139.24 161.99 36.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 110.407 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.7 HD21 ' O ' ' A' ' 1' ' ' CYS . 1.2 pt? -55.62 -44.86 77.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 1.6 t -63.67 -33.72 76.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 108.241 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.421 ' O ' HG12 ' A' ' 104' ' ' ILE . 3.6 t0 -73.15 166.34 23.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.05 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.41 117.41 11.92 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 111.002 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.942 HD12 HG23 ' A' ' 74' ' ' VAL . 4.7 pt -163.98 136.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.689 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -157.54 156.72 29.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.595 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -74.99 11.39 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.562 1.822 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.679 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.5 t90 71.15 -60.11 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 107.952 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.659 ' O ' HG23 ' A' ' 109' ' ' THR . 21.1 t0 -69.21 52.1 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 2.7 p -158.72 -56.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.011 HD22 ' HB3' ' A' ' 114' ' ' GLN . 47.5 mt 9.79 -106.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 146.61 -42.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.582 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.77 -65.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.41 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.507 ' N ' HG22 ' A' ' 112' ' ' THR . 23.6 m -48.93 -24.45 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.011 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -86.26 -35.12 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.603 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.56 -41.19 72.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.646 ' NZ ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -63.02 -19.02 63.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.225 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.55 -12.87 28.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.969 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 34.1 mt -70.7 -28.5 64.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -98.53 15.4 25.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.646 ' CD2' ' NZ ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -98.25 10.53 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.605 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.496 ' HD2' ' CD ' ' A' ' 54' ' ' LYS . 1.0 OUTLIER 59.11 -82.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.249 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.56 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 1.4 t80 -154.2 93.45 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.49 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 2.1 tt0 56.12 51.81 11.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.395 1.059 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.561 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -69.07 55.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 58.83 27.35 61.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.405 1.066 . . . . 0.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.409 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -60.61 -167.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.948 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.406 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 9.2 tp10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 110.216 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.84 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 85.3 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.91 56.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 1' ' ' CYS . 37.0 t -106.33 157.88 17.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.247 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.3 p -90.61 112.1 51.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 126.71 10.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.759 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.6 p -155.19 -133.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.116 . . . . 0.0 109.366 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.759 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.66 88.17 0.1 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.621 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -74.97 -25.77 11.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.608 HE21 ' CB ' ' A' ' 117' ' ' SER . 1.3 tt0 -117.52 -36.08 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' HB2' ' CB ' ' A' ' 7' ' ' HIS . 3.0 mt-30 -64.82 -7.95 13.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.817 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.68 -36.41 28.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.869 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.3 m-85 -87.78 3.39 48.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -113.68 -14.71 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.24 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.08 -36.89 10.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.618 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.83 173.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.494 ' HA ' ' CE2' ' A' ' 122' ' ' TYR . 0.4 OUTLIER -151.85 13.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.234 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.8 HG21 ' SD ' ' A' ' 96' ' ' MET . 7.2 p -166.29 86.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.99 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -98.93 118.77 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.606 HD11 ' HE2' ' A' ' 96' ' ' MET . 1.1 pt -143.58 126.71 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.656 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 10.9 ttp85 -78.58 40.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.891 HG21 HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.86 173.4 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.8 ptmt -125.69 120.51 30.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.82 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.95 105.05 16.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.842 ' CG1' HG11 ' A' ' 78' ' ' VAL . 3.3 m -109.38 -39.42 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.501 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -110.0 161.39 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -148.35 -174.06 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.5 ttpt -154.58 112.47 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.492 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.4 tt0 -74.69 91.88 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.553 HG13 ' HG2' ' A' ' 27' ' ' LYS . 16.6 m -100.06 82.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.46 141.75 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.0 t -127.13 30.91 5.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.1 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.77 -171.07 7.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.2 m-20 -83.79 164.8 19.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -95.31 -161.89 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.778 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.56 0.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -107.6 -1.29 21.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.1 -8.89 76.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.7 p-10 -78.4 153.4 79.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.588 0.816 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.93 128.99 11.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 31' ' ' SER . 34.4 mt -72.1 -94.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 21.7 ttmt 72.46 122.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.631 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -126.45 68.7 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.037 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -38.98 144.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.633 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.5 mm-40 -86.94 177.65 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.957 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.44 67.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.501 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.0 tt0 -63.06 68.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.891 HD12 HG21 ' A' ' 21' ' ' THR . 3.3 pt -63.82 -174.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -124.64 1.05 8.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.526 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 53.56 119.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.951 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.529 HD11 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -129.16 -29.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -180.0 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.75 163.0 40.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.463 ' HA ' HG22 ' A' ' 19' ' ' ILE . 1.7 ptm -144.98 68.5 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.82 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 14.2 m-85 -39.87 -78.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -124.47 71.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.93 -161.14 10.53 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.579 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.04 -176.45 2.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.06 -33.57 15.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.572 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -75.89 -79.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.6 t70 149.41 169.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.605 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.1 mm -102.9 -73.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.557 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.6 OUTLIER 73.93 -7.67 1.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.327 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.613 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.6 m-85 -147.47 95.38 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.933 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -105.9 167.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.631 ' CE1' ' OE1' ' A' ' 44' ' ' GLN . 5.4 m-85 -118.07 150.11 39.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.899 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.3 t -164.2 -168.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.449 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.761 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.91 148.36 36.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.037 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.04 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.44 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 1.6 m 56.95 -169.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.035 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.7 p -69.22 54.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.746 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 54.52 92.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.575 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -99.78 -41.43 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.376 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.84 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 7.9 m -121.19 13.33 11.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 108.305 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.746 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -154.17 -153.53 6.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.899 HG23 HD12 ' A' ' 104' ' ' ILE . 75.0 t -115.95 -2.67 10.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 74' ' ' VAL . 83.5 p 35.24 84.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.132 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.41 135.86 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.489 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -123.27 -0.04 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.357 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.024 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.45 -56.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.407 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -52.55 -11.7 1.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.462 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.13 -27.74 2.38 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -114.3 -93.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.024 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.14 -82.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.553 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.6 OUTLIER -148.66 156.09 41.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.938 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.132 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.1 p90 -141.07 152.98 45.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.77 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.34 1.03 39.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.124 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.46 100.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.003 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.77 106.77 9.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.598 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.76 165.1 26.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.667 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 3.3 tttm -39.67 -29.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 82.74 -179.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.535 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 15.1 tp10 -134.98 -37.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 171.44 -144.99 8.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.597 1.186 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.86 133.4 48.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.774 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 83.17 -6.59 70.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.075 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -167.72 143.91 4.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.247 -179.948 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.8 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -139.93 -158.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.04 124.84 21.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.999 HD12 HG13 ' A' ' 86' ' ' ILE . 2.8 pt -139.86 141.27 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.803 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -141.36 164.7 29.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.428 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.79 HD21 ' O ' ' A' ' 1' ' ' CYS . 0.6 OUTLIER -58.64 -43.45 89.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.502 ' H ' HD23 ' A' ' 100' ' ' LEU . 1.7 t -63.73 -32.99 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 108.383 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -75.73 166.9 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.003 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.07 116.76 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.899 HD12 HG23 ' A' ' 74' ' ' VAL . 6.2 pt -163.25 133.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.628 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.7 156.71 31.01 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.683 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.06 11.68 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.406 1.74 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.656 ' CE3' ' HD2' ' A' ' 20' ' ' ARG . 4.6 t90 71.9 -60.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 108.01 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 109' ' ' THR . 12.4 t0 -70.37 51.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.683 ' OG1' ' HD2' ' A' ' 106' ' ' PRO . 2.1 p -158.59 -55.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.891 HD22 ' HB3' ' A' ' 114' ' ' GLN . 60.7 mt 11.77 -105.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.81 -42.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.584 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.09 -63.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.527 HG23 ' HE2' ' A' ' 116' ' ' LYS . 1.4 m -54.45 -24.01 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.891 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -80.43 -36.34 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.955 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.76 ' HA ' HD23 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -68.74 -47.3 66.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.582 ' HE3' ' NE2' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -63.27 -10.86 17.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.639 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 0.2 OUTLIER -108.05 -14.12 14.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.82 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -96.31 -13.85 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.61 -27.74 17.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.639 ' CD2' ' O ' ' A' ' 117' ' ' SER . 0.5 OUTLIER -86.8 54.83 3.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.638 179.974 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER 65.38 -98.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.959 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.6 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 8.6 p90 -171.29 18.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.6 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 1.3 tt0 170.31 51.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.522 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.97 52.91 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 49.75 21.68 3.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.588 1.18 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.462 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -61.82 -170.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.985 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.717 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 59.4 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER 53.21 13.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.053 -179.938 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 101' ' ' CYS . 1.5 m -54.47 -174.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.188 . . . . 0.0 108.373 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.1 p -128.88 107.95 18.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.957 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 121.75 6.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.556 1.819 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.751 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -149.92 -134.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.751 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 31.29 92.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.536 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -75.06 -28.55 8.98 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.572 1.827 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.496 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.3 OUTLIER -107.03 -33.29 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.514 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -72.98 -4.91 35.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.771 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.95 -34.44 24.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.905 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.5 m-85 -91.3 -5.19 55.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.1 m -102.27 -10.56 19.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 108.342 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -103.64 -41.24 6.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.601 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.26 170.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.72 14.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.787 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 9.0 p -166.27 90.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.034 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.08 118.86 48.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.657 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -144.53 123.87 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.677 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.2 mtp180 -76.24 40.12 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.945 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.8 t -62.63 172.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 14.5 ptmt -126.41 120.58 30.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.857 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.16 107.08 18.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.793 HG12 HG11 ' A' ' 78' ' ' VAL . 2.6 m -110.18 -37.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.525 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -114.11 164.95 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -148.5 -175.27 4.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.237 -179.922 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.7 ttpt -152.22 112.1 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.484 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -75.02 88.74 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.555 HG23 ' HG3' ' A' ' 42' ' ' ARG . 15.8 m -95.24 79.62 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -44.04 140.63 1.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.521 ' OG ' ' O ' ' A' ' 31' ' ' SER . 1.7 t -126.84 31.25 5.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.72 -169.58 4.25 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.542 1.151 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.3 m-80 -84.07 163.67 19.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 0.774 . . . . 0.0 109.358 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 3.2 t70 -94.44 -161.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.788 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.5 mp -80.69 1.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.23 -1.64 20.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 111.061 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.84 -8.72 76.88 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.543 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.3 p-10 -79.56 153.32 76.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.41 0.712 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.02 130.47 13.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 41' ' ' LYS . 35.8 mt -75.01 -93.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 23.2 ttmt 71.2 122.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.637 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.6 ptt180 -128.0 74.38 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.987 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -44.63 142.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.649 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.4 mm-40 -85.38 -178.65 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 1.012 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.18 67.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.525 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.1 tt0 -62.28 68.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.328 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.945 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.3 pt -67.07 -175.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.494 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -119.63 -2.71 10.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.522 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 13.4 mm100 51.75 108.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.465 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -116.24 -35.28 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.515 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -144.81 161.12 40.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -140.35 67.57 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.928 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.845 ' CE2' HD22 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -35.32 -80.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.625 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -127.35 72.33 1.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.24 -163.12 12.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.743 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.03 -172.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -94.43 -33.3 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.653 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.03 -79.17 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.653 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.9 t70 148.35 164.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.693 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -106.18 -78.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.509 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.0 OUTLIER 72.67 -7.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.343 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.577 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -144.29 94.12 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.11 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -99.22 171.37 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.659 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.17 155.49 38.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 1.012 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.5 t -170.94 -161.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.401 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.686 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -108.93 151.5 41.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.987 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -161.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.06 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.3 m 58.15 -172.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.949 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.7 p -68.82 56.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.956 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.654 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 54.99 104.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.701 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -112.25 -44.04 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.927 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.717 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 9.6 m -116.88 12.33 14.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.514 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -151.76 -156.64 7.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.882 HG23 HD12 ' A' ' 104' ' ' ILE . 96.2 t -111.49 2.04 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.359 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.654 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 9.7 p 31.57 88.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.955 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -109.77 130.57 55.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.915 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.484 ' OD2' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -122.26 2.53 9.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.047 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.5 t 70.82 -55.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.94 -12.34 1.72 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.477 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.65 -30.85 1.58 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.52 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -110.66 -95.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 0.728 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.047 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.45 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -149.08 159.27 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.155 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.4 p90 -146.37 153.35 40.41 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.76 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.58 3.5 36.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.155 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.54 101.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.069 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.05 108.9 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.28 -178.05 18.77 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -48.91 -38.74 23.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 0.716 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.787 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 84.03 173.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.535 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 6.6 tp10 -130.16 1.31 4.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.73 -119.66 2.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.65 142.0 49.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.494 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 80.58 -4.39 69.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.044 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.84 140.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.752 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -144.16 -170.48 3.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -127.56 129.71 47.8 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.528 1.143 . . . . 0.0 109.574 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.11 HD13 HG21 ' A' ' 63' ' ' ILE . 6.3 pt -141.31 134.02 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.602 ' O ' HD11 ' A' ' 104' ' ' ILE . 48.6 p -130.26 164.12 25.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -64.22 -24.37 67.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -80.08 -30.53 39.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -78.33 171.18 15.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.069 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -71.56 120.58 17.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.97 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.882 HD12 HG23 ' A' ' 74' ' ' VAL . 5.5 pt -165.68 138.9 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.667 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -158.59 157.89 29.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.582 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.98 9.04 2.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.526 1.803 . . . . 0.0 110.978 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.677 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.5 t90 73.36 -58.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 108.021 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.65 ' O ' HG23 ' A' ' 109' ' ' THR . 8.1 t70 -69.56 51.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.678 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.4 p -159.19 -55.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.403 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.979 HD22 ' HB3' ' A' ' 114' ' ' GLN . 64.0 mt 11.55 -107.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 147.36 -40.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.95 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.607 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.21 -66.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.393 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.496 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 1.3 m -49.59 -26.63 3.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.979 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -82.25 -29.28 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.855 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -77.13 -42.86 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.454 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -61.54 -21.66 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.683 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -89.34 -10.22 47.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.992 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.855 HD12 ' HA ' ' A' ' 115' ' ' LYS . 49.0 mt -75.26 -27.22 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.387 1.054 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -102.09 15.81 27.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.489 ' CE1' ' H ' ' A' ' 123' ' ' GLN . 0.0 OUTLIER -87.91 0.84 55.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 109.604 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.491 ' O ' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 70.37 -58.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 110.289 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.482 ' HA ' ' CE1' ' A' ' 120' ' ' HIS . 1.4 t80 175.83 94.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.489 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 2.2 tt0 49.77 50.83 17.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.2 55.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 65.69 8.95 42.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.428 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 1.2 p -52.21 175.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.351 -179.975 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 71' ' ' VAL . 30.2 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 162.04 53.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.961 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.609 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -72.74 -161.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.255 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.6 p -147.44 122.33 5.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.061 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.441 ' CB ' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -75.06 78.59 2.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.716 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.1 p -90.05 -132.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.716 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 33.08 91.98 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.557 -179.94 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.613 ' O ' HG22 ' A' ' 113' ' ' THR . 18.4 Cg_endo -75.04 6.53 3.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.483 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -141.74 -43.85 0.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.522 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.53 -7.23 9.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.805 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.13 -32.44 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.9 m-85 -91.06 -5.43 55.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.3 m -102.63 -8.79 20.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 108.376 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.453 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -104.08 -41.64 5.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.623 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.35 169.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.29 11.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.624 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 7.7 p -165.89 93.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.998 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.72 119.11 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.619 HG13 HG22 ' A' ' 21' ' ' THR . 0.6 OUTLIER -142.14 124.76 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.623 ' HD2' HD11 ' A' ' 50' ' ' ILE . 1.2 tmm_? -79.19 40.98 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.915 HG21 HD12 ' A' ' 47' ' ' ILE . 1.3 t -64.5 173.66 2.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.508 ' HG2' HG22 ' A' ' 50' ' ' ILE . 17.0 ptmt -126.76 119.62 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.875 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.69 106.41 18.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.371 1.045 . . . . 0.0 109.233 -179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.707 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.9 m -108.92 -35.09 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -116.32 166.37 12.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.476 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.9 mp0 -151.78 178.47 9.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.679 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.1 ttpt -143.44 112.63 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.614 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.8 tt0 -74.24 96.05 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG13 ' HG2' ' A' ' 27' ' ' LYS . 33.3 m -112.56 113.66 44.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' OD2' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -62.73 155.43 26.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.8 t -138.22 23.73 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' ILE . . . 74.14 -179.57 42.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.14 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.514 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.1 m-20 -84.39 164.72 18.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.9 t0 -97.09 -162.26 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.777 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -79.82 -0.51 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.38 -0.91 22.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.34 -8.77 75.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.3 p-10 -78.21 153.47 79.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.98 129.04 11.99 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.552 1.817 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 31' ' ' SER . 49.3 mt -65.49 -85.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HG2' ' HG3' ' A' ' 67' ' ' PRO . 19.8 ttmm 73.04 125.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.616 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -130.02 65.73 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.04 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -36.9 144.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.679 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.0 mm-40 -86.03 -179.58 6.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 1.006 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.29 68.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.092 179.916 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.9 tt0 -63.81 67.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.258 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.971 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.5 pt -64.83 -170.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.7 ttpt -126.78 0.39 6.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.562 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 50.17 114.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.938 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.623 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -123.06 -31.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.946 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -146.19 166.01 27.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.251 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.525 ' O ' ' CE ' ' A' ' 52' ' ' MET . 1.1 ttp -145.53 72.15 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.025 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -43.27 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.648 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -127.16 74.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.213 -179.955 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -130.62 -164.82 11.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.599 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -74.94 177.62 8.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.29 -35.85 63.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.94 -87.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 3.0 t70 151.68 166.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.019 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.4 OUTLIER -119.99 76.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.483 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -70.33 -5.52 28.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 6.7 m-85 -135.01 92.07 2.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.409 1.068 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.938 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -96.13 167.76 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.58 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 20.0 m-85 -117.87 145.86 44.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.858 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.7 t -162.72 -170.8 2.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.775 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -101.96 149.34 36.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.04 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.98 -158.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 62.46 -160.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.69 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 34.9 t -81.45 30.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.971 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.716 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 85.9 90.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.541 ' O ' HD22 ' A' ' 100' ' ' LEU . 0.6 OUTLIER -98.68 -40.95 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.249 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.775 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 94.7 m -125.23 18.56 8.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.319 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.716 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -156.6 -159.39 9.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.815 HG23 ' CD1' ' A' ' 104' ' ' ILE . 55.6 t -111.87 -1.34 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.592 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 0.0 OUTLIER 33.11 87.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.041 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -106.11 137.32 44.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.489 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -123.67 0.22 8.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.707 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.7 t 69.45 -57.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -48.51 -15.46 0.47 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.479 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -114.32 -31.66 2.16 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -105.83 -93.31 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER 163.0 -60.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.509 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -168.09 167.47 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.132 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -153.36 152.87 31.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.765 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.83 2.1 39.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.132 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 11.31 100.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 0.0 109.288 -179.917 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.067 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.38 110.65 12.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.401 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.08 170.74 26.43 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.15 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -41.89 -30.89 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 0.758 . . . . 0.0 109.239 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.68 -179.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.534 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.5 tp10 -139.06 -1.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 136.35 -125.0 3.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -126.52 146.96 49.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.435 ' H ' HD13 ' A' ' 60' ' ' ILE . . . 72.24 -1.37 34.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.839 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -178.39 137.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 1.019 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -132.98 -160.13 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.421 ' CG ' ' OE1' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -133.27 124.11 26.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.569 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.054 HD12 HG13 ' A' ' 86' ' ' ILE . 1.7 pt -139.35 133.42 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.63 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.8 p -133.29 169.02 17.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.609 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -66.24 -26.06 67.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.67 -22.69 37.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.415 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.9 t0 -87.24 169.63 12.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.231 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.067 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.48 118.89 13.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.864 HG23 ' O ' ' A' ' 103' ' ' PHE . 6.6 pt -165.66 134.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.652 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.62 157.16 32.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.969 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.579 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.05 8.27 2.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.804 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.613 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.8 t90 74.31 -59.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 0.0 107.954 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.632 ' O ' HG23 ' A' ' 109' ' ' THR . 23.9 t70 -68.29 52.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.222 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 8.2 p -158.83 -53.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.013 HD22 ' HB3' ' A' ' 114' ' ' GLN . 58.1 mt 6.25 -107.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 145.27 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 110.0 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.61 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.15 -65.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 110.412 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 8' ' ' PRO . 3.4 m -48.41 -26.12 1.94 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.522 1.138 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.013 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -84.55 -32.32 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.705 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -72.69 -40.73 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.439 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -63.38 -19.69 64.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.657 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.65 -5.04 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 109.941 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.025 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 46.4 mt -80.35 -27.08 38.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -103.59 10.56 36.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.488 ' NE2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -81.61 5.75 17.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.583 179.941 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.507 ' O ' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 68.57 -61.36 0.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 120' ' ' HIS . 3.5 t80 177.22 93.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.47 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 2.2 tt0 52.36 50.72 17.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.5 55.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 63.6 18.95 62.07 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.416 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -57.32 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.968 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.91 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 60.2 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 54.03 16.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.553 ' H ' HD21 ' A' ' 100' ' ' LEU . 1.7 m -55.61 -179.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 108.271 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.5 p -129.61 107.98 17.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 130.05 12.88 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.423 1.749 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.785 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.8 p -154.51 -134.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.785 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 33.3 88.52 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.684 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 4.02 5.08 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.447 1.762 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.519 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -141.29 -44.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 2.9 mt-30 -63.64 -5.74 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.09 -36.55 24.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.873 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -87.43 -6.29 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.2 m -101.15 -17.76 16.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -93.47 -41.84 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.539 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.94 172.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -152.08 16.03 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.939 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 3.1 p -166.39 88.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.107 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -99.76 117.11 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.587 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -141.46 125.52 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.567 ' HD3' ' CE3' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -77.09 40.18 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.887 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.1 t -62.98 163.88 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.1 ptmt -119.33 120.42 36.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.835 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.85 104.91 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.874 HG12 HG11 ' A' ' 78' ' ' VAL . 2.6 m -107.76 -37.11 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -114.14 165.25 12.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.0 mp0 -148.58 -176.08 5.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.667 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.9 ttpt -151.86 114.09 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.498 ' CG ' ' HE3' ' A' ' 41' ' ' LYS . 8.7 tt0 -74.89 91.24 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.566 HG13 ' HG2' ' A' ' 27' ' ' LYS . 15.9 m -100.67 112.2 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.248 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.558 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -56.83 152.88 11.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.649 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -140.65 19.32 2.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.573 1.171 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.23 -178.65 37.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m-20 -83.98 163.93 19.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.0 t70 -94.98 -160.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.85 0.69 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -108.99 0.1 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.03 -8.58 75.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.4 p-10 -78.89 155.52 77.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.08 130.01 12.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.649 HG21 ' OG ' ' A' ' 31' ' ' SER . 50.2 mt -67.37 -79.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.6 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 13.1 tppt? 68.29 125.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.628 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.81 65.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.001 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -36.83 146.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.677 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 9.1 mm-40 -89.86 -179.59 5.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.923 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.51 69.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.521 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.0 tt0 -63.78 68.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.887 HD12 ' CG2' ' A' ' 21' ' ' THR . 1.6 pt -65.45 -170.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.575 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.3 ttpt -127.51 4.27 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.575 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER 49.38 114.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.965 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.463 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -124.44 -33.44 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.2 tttt -144.76 162.85 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.511 ' HA ' HG22 ' A' ' 19' ' ' ILE . 9.7 ptm -146.89 63.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.66 ' CE1' HD22 ' A' ' 118' ' ' LEU . 51.9 m-85 -40.84 -70.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.781 ' HB3' HG23 ' A' ' 18' ' ' VAL . 47.2 tptt -130.31 161.35 31.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 128.08 -135.82 8.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.01 -166.9 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.85 -31.25 7.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.8 -80.19 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.3 t70 158.86 169.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.653 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.4 mm -100.07 -72.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.589 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.71 -10.38 1.19 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -145.4 97.11 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.024 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.11 169.46 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.677 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.6 m-85 -123.01 154.89 37.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.797 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.6 t -168.59 -161.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.758 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -106.79 152.75 40.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.001 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.06 -159.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.768 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.66 -161.17 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.979 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.725 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 35.3 p -81.15 28.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 88.42 97.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.509 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -108.24 -38.06 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.91 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 33.4 m -124.91 19.17 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 108.336 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.566 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -159.19 -158.43 9.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.939 HG23 HD12 ' A' ' 104' ' ' ILE . 82.6 t -110.64 1.12 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.664 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.2 OUTLIER 30.76 84.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.955 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.154 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.06 135.01 46.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.493 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -123.79 0.17 8.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.066 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.5 t 71.53 -53.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.62 -11.72 2.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.442 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.82 -29.7 1.79 Allowed Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.526 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -112.65 -94.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.066 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.18 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.562 ' O ' ' O ' ' A' ' 106' ' ' PRO . 3.0 mp0 -146.78 158.76 43.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.154 ' CE2' HD13 ' A' ' 76' ' ' LEU . 3.2 p90 -144.85 151.4 38.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.882 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.15 3.38 27.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.392 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.147 HD13 ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.61 100.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.107 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -129.32 104.24 7.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -159.37 168.19 35.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -38.55 97.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.939 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -64.5 174.38 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.229 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.519 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 5.4 tp10 -126.11 12.78 7.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.01 -116.88 2.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.91 139.34 39.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 80.79 1.58 89.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.653 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.43 145.43 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 0.8 . . . . 0.0 109.371 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.684 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -151.98 -170.44 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 -179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.07 131.74 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.61 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.024 HD13 HG21 ' A' ' 63' ' ' ILE . 6.0 pt -141.82 149.36 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.642 ' O ' HD11 ' A' ' 104' ' ' ILE . 2.0 p -147.07 162.96 37.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.553 HD21 ' H ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -62.66 -28.28 69.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -30.98 57.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.13 171.14 15.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.029 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.75 118.74 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.939 HD12 HG23 ' A' ' 74' ' ' VAL . 5.9 pt -164.88 134.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.26 157.63 31.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.562 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.6 Cg_endo -74.92 6.48 3.33 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.614 ' HD1' HD12 ' A' ' 85' ' ' LEU . 3.4 t90 75.92 -57.79 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.573 ' O ' HG23 ' A' ' 109' ' ' THR . 17.0 t70 -68.61 50.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.693 ' O ' ' C ' ' A' ' 110' ' ' LEU . 15.3 p -158.28 -55.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.378 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.019 HD22 ' HB3' ' A' ' 114' ' ' GLN . 52.2 mt 9.02 -106.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.643 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.49 -43.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.565 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 162.16 -63.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.519 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 25.5 m -51.63 -26.82 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.425 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.019 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -81.9 -34.28 30.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.601 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -71.03 -43.24 68.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.3 -19.95 63.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.627 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -94.96 -7.62 39.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.66 HD22 ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -81.18 -24.77 37.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -102.98 10.28 38.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.595 ' ND1' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -87.72 14.9 7.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.388 1.055 . . . . 0.0 109.567 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.416 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 65.77 -69.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.89 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.793 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 8.4 p90 -177.08 93.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.516 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 1.4 tt0 54.71 51.85 13.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.42 53.45 0.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.145 . . . . 0.0 111.07 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 61.78 23.49 63.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.405 1.066 . . . . 0.0 111.018 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.407 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -59.53 -170.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.354 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.533 ' H1 ' ' HA ' ' A' ' 72' ' ' CYS . 93.7 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 54.58 13.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.432 ' H ' HD21 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -65.06 169.35 5.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 108.276 179.948 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -103.59 107.47 56.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 119.3 5.6 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.811 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.722 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -144.48 -133.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.722 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.46 86.42 0.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.626 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.459 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.6 Cg_endo -74.93 -0.66 10.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.496 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 5.8 tp-100 -137.09 -43.29 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.0 mt-30 -63.94 -5.61 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.814 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.2 -35.25 23.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.918 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -89.02 -0.22 57.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 1.7 m -109.0 -15.94 14.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -96.05 -38.19 10.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.572 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.05 172.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.09 15.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.697 HG23 ' HD3' ' A' ' 56' ' ' PRO . 12.2 p -166.74 88.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.018 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -100.32 117.35 45.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.632 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.9 OUTLIER -143.12 127.43 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.59 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 0.5 OUTLIER -78.0 42.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.974 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.6 t -66.2 163.1 18.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.483 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 14.6 ptmt -118.51 122.41 42.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.828 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.12 104.02 16.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.929 HG12 HG11 ' A' ' 78' ' ' VAL . 3.5 m -107.27 -35.92 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.524 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -114.51 161.5 17.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -146.01 -172.52 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.943 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.646 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.7 ttpt -156.85 119.75 4.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.478 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 3.4 tt0 -79.84 94.76 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.712 HG23 ' CD ' ' A' ' 42' ' ' ARG . 10.7 m -102.79 84.64 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.72 150.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.529 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -136.89 23.22 3.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.23 -170.79 25.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.1 m-80 -84.14 164.0 19.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.769 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.6 t70 -95.28 -161.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.774 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.47 0.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -107.46 -1.58 21.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.76 -8.83 76.37 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.534 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.4 p-10 -79.63 154.04 76.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.98 130.0 12.88 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.529 HG21 ' OG ' ' A' ' 31' ' ' SER . 61.0 mt -72.82 -90.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 18.7 ttmt 66.72 123.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.712 ' CD ' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -131.06 70.48 1.46 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.946 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -37.79 154.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.646 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mm-40 -94.72 -179.81 5.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 1.056 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.25 68.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.524 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 15.2 tt0 -63.13 68.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.974 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.6 pt -67.58 -174.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.598 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.0 ttpt -122.39 6.92 9.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.215 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.9 mm100 41.49 106.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -114.71 -35.69 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' O ' ' HB ' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -141.07 159.59 41.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.446 ' HA ' HG22 ' A' ' 19' ' ' ILE . 9.8 ptm -142.82 65.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.703 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 20.3 m-85 -37.63 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -121.87 76.55 1.29 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.39 -165.95 12.0 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.697 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -74.97 -171.1 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.759 . . . . 0.0 111.052 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -95.1 -33.41 12.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -72.41 -77.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.616 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.5 t70 145.35 164.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.733 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -105.31 -79.26 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.49 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 73.79 -10.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -139.86 94.73 2.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.054 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -102.66 168.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.63 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.9 m-85 -122.2 158.82 28.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 1.056 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.9 t -174.48 -162.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.467 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.09 153.43 38.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.946 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.09 -175.77 2.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.3 -166.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.021 -179.933 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.768 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 8.1 p -59.85 -33.88 72.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 149.68 111.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.371 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.594 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -117.4 -39.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.688 ' HA ' HD22 ' A' ' 100' ' ' LEU . 13.3 m -126.01 16.4 7.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 108.289 179.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.576 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -157.17 -154.72 7.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.082 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.846 HG23 HD12 ' A' ' 104' ' ' ILE . 90.6 t -115.68 -1.79 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 32.75 86.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.031 179.959 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.037 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -104.16 130.61 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.933 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.57 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -117.09 -4.41 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.069 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 74.74 -50.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 179.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.28 -13.78 1.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.551 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.02 -35.79 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.551 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -103.61 -98.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.358 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.069 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.78 -81.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.555 ' O ' ' O ' ' A' ' 106' ' ' PRO . 7.2 mp0 -147.56 153.26 39.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.418 1.074 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.141 ' CD1' HD13 ' A' ' 86' ' ' ILE . 3.2 p90 -137.98 153.22 49.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.75 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.16 4.77 25.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.141 HD13 ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 8.86 102.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.066 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.94 108.09 10.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.539 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.16 174.37 23.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -43.63 -37.39 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 83.86 175.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.539 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 12.0 tp10 -133.9 4.62 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.83 -122.86 3.87 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.494 1.121 . . . . 0.0 111.062 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.02 143.45 50.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 0.806 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 78.22 -3.38 62.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.576 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.95 143.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 0.798 . . . . 0.0 109.295 -179.941 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.733 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -146.83 -168.93 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -129.2 127.6 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.614 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.054 HD13 HG21 ' A' ' 63' ' ' ILE . 4.6 pt -140.45 136.75 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.538 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.1 p -135.44 166.35 23.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.688 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -59.23 -43.23 92.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -64.57 -32.5 74.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 8.2 t0 -73.82 166.53 23.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.066 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.93 118.58 13.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.846 HD12 HG23 ' A' ' 74' ' ' VAL . 6.5 pt -164.15 136.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.579 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -157.5 156.71 29.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.592 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.9 10.92 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.553 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 10.2 t90 71.67 -59.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.667 ' O ' HG23 ' A' ' 109' ' ' THR . 32.8 t0 -69.84 52.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.678 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 p -159.15 -55.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.02 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.2 mt 9.4 -107.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.657 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 145.86 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.61 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.86 -63.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.55 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.5 m -49.97 -22.23 1.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.02 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -88.79 -38.51 14.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.616 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -66.28 -40.12 89.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.946 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.55 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.94 -14.75 37.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.938 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.606 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.1 -11.43 22.89 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.952 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.703 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -85.73 -0.19 54.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -75.45 -60.79 2.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.61 ' HB2' ' HG2' ' A' ' 124' ' ' MET . 4.1 m-70 -65.46 -102.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.596 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.437 ' C ' ' HG2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -157.11 -76.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.069 . . . . 0.0 110.344 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 11.9 p90 -130.74 13.07 5.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.8 OUTLIER -169.26 74.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.61 ' HG2' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -67.46 54.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 44.91 23.95 0.68 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.634 1.209 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.409 ' N ' ' C ' ' A' ' 124' ' ' MET . 0.6 OUTLIER -62.99 -168.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.409 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 13.1 tt0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.902 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 52.6 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 46.03 22.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.465 ' H ' HD21 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -71.23 163.61 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.313 179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -100.2 107.71 48.78 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -74.98 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.425 1.75 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.72 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.7 p -141.87 -134.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.72 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.77 95.91 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.589 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.484 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.1 Cg_endo -75.01 -30.48 7.11 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.55 1.816 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -115.12 -34.56 4.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.49 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -62.17 -10.92 11.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.775 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.21 -36.3 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -88.62 -2.53 58.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 15.0 m -105.16 -12.81 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 108.336 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.49 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -98.58 -43.79 6.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.607 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.21 171.25 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' GLY . 19.4 m-20 -148.68 14.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.608 1.192 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.793 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 2.5 p -165.6 88.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.986 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -98.59 117.68 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.925 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.554 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -140.63 126.65 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.612 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 12.3 mtp180 -77.52 35.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.881 HG21 HD12 ' A' ' 47' ' ' ILE . 2.1 t -56.52 173.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.576 ' HE2' HG11 ' A' ' 78' ' ' VAL . 17.0 ptmt -129.05 118.05 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.907 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.48 100.07 12.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.526 HG13 ' HE2' ' A' ' 22' ' ' LYS . 2.5 m -101.78 -35.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.478 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.4 t -116.35 162.99 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.947 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -148.31 -174.45 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.4 ttpt -153.5 113.11 3.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.486 ' HG3' HD11 ' A' ' 43' ' ' ILE . 2.3 tt0 -74.23 94.99 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.547 HG13 ' HG2' ' A' ' 27' ' ' LYS . 15.3 m -103.45 80.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.89 139.31 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.526 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.8 t -124.6 32.63 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.34 -170.13 4.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 4.5 m-20 -84.17 165.83 18.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.7 t70 -95.72 -162.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.786 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -79.82 1.06 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -108.25 -1.59 20.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.25 -8.85 77.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -77.97 153.26 80.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.96 129.3 12.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 0.0 111.027 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 31' ' ' SER . 36.5 mt -73.64 -95.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.512 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 17.5 ttmt 72.98 120.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.312 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.624 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -125.94 66.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.698 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.3 mp -37.69 146.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.647 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.8 mm-40 -88.03 179.15 6.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.914 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.871 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.34 69.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.044 -179.933 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.0 tt0 -64.56 66.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.937 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.99 HD11 ' O ' ' A' ' 60' ' ' ILE . 2.2 pt -63.76 -172.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -124.98 -1.61 7.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.48 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.74 119.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.343 -179.921 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.558 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -126.86 -31.18 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.475 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.36 168.26 26.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.51 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -146.24 67.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.103 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -36.47 -78.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.753 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -125.18 57.72 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.57 -169.07 19.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.637 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.05 -176.12 2.72 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.409 1.742 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.02 -37.69 58.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.589 1.181 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -77.97 -85.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 0.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.8 t70 152.4 168.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.99 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -119.48 73.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -68.8 -5.73 22.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 3.4 m-85 -132.86 91.99 2.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.993 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -98.1 166.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.7 m-85 -121.57 146.19 47.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.093 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.746 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.1 t -161.82 -168.17 1.87 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.701 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.85 148.82 37.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.698 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -75.04 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.566 1.824 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.471 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.9 OUTLIER 59.98 -171.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.7 p -69.74 55.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.711 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 55.29 92.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -98.81 -40.53 9.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.902 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 39.4 m -124.56 17.95 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 108.322 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.711 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -157.27 -153.64 6.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.93 HG23 HD12 ' A' ' 104' ' ' ILE . 89.7 t -116.22 -0.94 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 0.0 109.213 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.593 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 28.07 81.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.002 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.43 133.12 49.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.514 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -108.63 -6.98 15.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 82' ' ' LYS . 5.7 t 69.28 -56.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.504 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -49.18 -12.36 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -119.48 -23.93 3.02 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.514 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -110.66 -90.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.228 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.66 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 169.69 -88.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.547 ' O ' ' O ' ' A' ' 106' ' ' PRO . 6.7 mp0 -151.89 145.06 24.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.14 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -122.18 155.26 36.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.722 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -85.35 3.32 40.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 -179.884 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.14 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.21 104.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.947 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.068 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.42 113.38 16.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.622 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.61 175.7 22.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.117 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.573 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -57.66 -17.45 14.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.787 . . . . 0.0 109.344 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.793 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 75.92 176.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.218 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -121.71 -42.08 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 155.69 53.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.436 1.085 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.553 ' C ' ' H ' ' A' ' 95' ' ' LYS . 3.6 m-20 56.87 154.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 0.727 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.02 -10.82 0.74 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.766 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -175.49 143.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.921 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -144.89 -172.84 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.933 -179.93 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -124.39 128.96 49.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.532 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.993 HD13 HG21 ' A' ' 63' ' ' ILE . 4.4 pt -140.42 136.42 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -137.72 164.03 29.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.568 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -58.44 -43.71 88.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -31.86 73.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.093 . . . . 0.0 108.307 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.475 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.8 t0 -75.63 175.49 8.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.068 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -77.94 116.51 18.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.93 HD12 HG23 ' A' ' 74' ' ' VAL . 6.2 pt -164.44 133.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.664 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.24 156.82 32.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.604 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.02 11.24 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.456 1.766 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.603 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 16.6 t90 71.08 -59.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.022 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.654 ' O ' HG23 ' A' ' 109' ' ' THR . 30.6 t0 -69.56 52.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.675 ' O ' ' C ' ' A' ' 110' ' ' LEU . 3.4 p -158.69 -55.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.042 HD22 ' HB3' ' A' ' 114' ' ' GLN . 55.7 mt 10.66 -107.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 147.05 -41.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.618 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.06 -58.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.583 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 37.2 m -54.6 -23.88 18.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.042 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -86.14 -36.19 19.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.959 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.589 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -68.11 -39.07 82.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.947 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.583 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 2.0 pttt -63.93 -16.48 61.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.707 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.48 -5.83 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.988 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.103 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 29.1 mt -76.65 -26.92 55.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.433 ' O ' ' NH1' ' A' ' 121' ' ' ARG . 10.7 p30 -104.86 9.52 34.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.546 ' ND1' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -92.69 25.61 3.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.553 179.968 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.44 ' N ' ' HD3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER 49.85 -91.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.785 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 6.4 p90 -151.95 96.3 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.532 ' H ' ' CE1' ' A' ' 120' ' ' HIS . 1.7 tt0 54.84 61.07 3.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.33 58.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 52.16 25.9 19.28 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.424 1.078 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -170.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.979 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.963 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 51.3 m . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 54.63 16.22 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.458 ' H ' HD21 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -69.09 172.12 7.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 108.327 -179.958 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.8 p -108.03 108.21 61.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.88 126.06 9.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.811 . . . . 0.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.751 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.3 p -152.57 -134.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.751 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 37.39 87.03 0.12 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.57 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 0.6 8.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.497 HE22 ' CD ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -135.68 -44.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.491 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -62.11 -7.6 4.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.917 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.807 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.73 -33.9 27.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.207 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.857 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 m-85 -92.39 7.17 44.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.47 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 4.0 m -116.66 -9.35 11.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.506 1.129 . . . . 0.0 108.342 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.491 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.6 OUTLIER -104.11 -40.26 6.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.641 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.31 169.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -145.02 11.59 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.082 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 88' ' ' GLY . 6.7 p -164.72 92.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.983 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -101.71 116.19 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.54 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -141.46 127.02 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.612 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 16.4 mtp180 -77.19 36.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.847 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.1 t -58.1 169.11 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.346 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HG2' HG22 ' A' ' 50' ' ' ILE . 15.3 ptmt -125.41 120.47 31.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.829 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.44 108.46 19.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.787 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -110.53 -34.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.468 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.6 t -119.76 162.73 18.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 4.1 mp0 -145.74 -173.98 4.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.67 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.6 ttpt -153.3 116.52 4.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.48 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 9.2 tt0 -76.8 92.53 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.528 HG13 ' HG2' ' A' ' 27' ' ' LYS . 23.2 m -103.42 112.17 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -59.65 149.74 29.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.479 ' OG ' HG21 ' A' ' 40' ' ' ILE . 2.1 t -134.53 16.29 3.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.39 175.24 36.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.436 1.085 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.549 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -82.77 161.29 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -95.17 -162.73 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.782 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -78.77 -1.39 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.515 ' CD1' ' OD1' ' A' ' 38' ' ' ASN . 27.0 t80 -98.63 -17.36 18.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.65 -8.65 56.62 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.566 1.166 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.549 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -85.01 154.43 60.68 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.528 0.781 . . . . 0.0 109.373 179.972 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.99 130.25 13.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.479 HG21 ' OG ' ' A' ' 31' ' ' SER . 92.3 mt -64.14 -77.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.628 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.5 tppt? 69.0 123.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 179.934 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.639 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -129.36 67.65 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.93 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.97 148.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.67 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.7 mm-40 -90.28 179.36 5.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 1.06 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.4 OUTLIER -136.32 69.25 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 13.7 tt0 -64.37 68.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.916 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.6 pt -64.24 -169.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.576 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.5 ttpt -127.8 5.26 6.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.576 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 48.32 113.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.502 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -122.06 -30.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.968 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.449 ' CB ' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -152.28 167.14 29.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.459 ' HA ' HG22 ' A' ' 19' ' ' ILE . 2.4 ptt? -146.23 68.37 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.057 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -37.76 -80.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.94 -179.883 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.628 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -126.18 72.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -125.96 -164.14 11.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.459 1.099 . . . . 0.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.617 ' HG3' HD11 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 -174.44 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.771 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.57 -38.18 40.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 1.5 tpmt? -77.24 -85.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.5 t70 154.12 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.368 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.989 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.6 OUTLIER -119.83 71.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -68.58 -5.98 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 3.1 m-85 -131.8 90.81 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.988 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -97.68 166.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.61 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 6.1 m-85 -121.01 152.47 38.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 1.06 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.9 t -166.56 -162.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.568 1.167 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.825 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -104.88 152.7 39.61 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.93 ' HB3' HD13 ' A' ' 43' ' ' ILE . 17.9 Cg_endo -75.11 -161.19 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.68 -160.3 0.3 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.718 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 87.3 p -83.24 30.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 87.31 95.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.264 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.545 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -107.59 -38.39 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.963 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 14.7 m -122.88 14.22 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.54 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.65 -153.12 6.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.874 HG23 HD12 ' A' ' 104' ' ' ILE . 74.2 t -115.67 0.31 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.744 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.587 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 5.0 p 33.07 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.954 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.979 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -110.78 134.27 52.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 1.1 p30 -126.09 2.62 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.024 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.5 t 69.98 -55.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 77' ' ' ASP . . . -53.24 -11.85 1.78 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -119.75 -30.73 1.45 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -110.33 -93.79 0.43 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.024 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 162.74 -81.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.519 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -149.01 160.34 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.125 ' CG ' HD13 ' A' ' 86' ' ' ILE . 3.4 p90 -148.39 152.14 36.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.748 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.35 2.16 33.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.125 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.91 101.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 -179.928 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.06 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.52 107.71 10.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.222 -179.924 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.656 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -158.17 154.52 25.6 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.1 OUTLIER -37.37 97.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 109.364 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.514 ' HA ' ' CB ' ' A' ' 96' ' ' MET . . . -50.47 178.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 25.1 tt0 -115.04 -34.53 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 151.56 49.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.517 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 13.0 m-20 57.81 149.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 0.782 . . . . 0.0 109.23 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.613 ' H ' HD13 ' A' ' 60' ' ' ILE . . . 70.5 -5.62 6.98 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.815 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -178.4 141.54 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 0.713 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.989 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -146.75 -172.34 3.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 111.037 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.63 128.0 48.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.034 HD12 HG13 ' A' ' 86' ' ' ILE . 3.2 pt -139.83 134.82 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -135.13 164.87 26.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.412 1.07 . . . . 0.0 110.409 -179.99 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.631 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -57.87 -43.15 85.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -32.75 74.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.441 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.2 t70 -74.0 168.07 20.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.376 179.915 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.06 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -71.79 118.2 14.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.967 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.874 HD12 HG23 ' A' ' 74' ' ' VAL . 6.0 pt -164.63 135.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.669 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.4 156.54 31.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.589 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.93 9.62 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.428 1.752 . . . . 0.0 111.054 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.567 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 12.0 t90 72.96 -59.56 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 108.028 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 109' ' ' THR . 33.0 t70 -69.19 52.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.236 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.681 ' O ' ' C ' ' A' ' 110' ' ' LEU . 5.9 p -159.12 -57.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.031 HD22 ' HB3' ' A' ' 114' ' ' GLN . 44.6 mt 11.0 -107.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.238 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.2 m 147.18 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.609 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.18 -66.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.481 ' N ' HG22 ' A' ' 112' ' ' THR . 11.2 m -47.84 -25.1 1.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.463 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.031 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -85.58 -35.28 21.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.95 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.582 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -70.13 -40.55 74.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.727 ' HZ1' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -62.47 -21.02 65.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.661 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.24 -14.51 30.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.057 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 37.2 mt -68.81 -31.38 70.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -36.36 64.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.727 ' CE1' ' HZ1' ' A' ' 116' ' ' LYS . 29.4 m170 -60.41 109.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.589 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -32.24 -48.41 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.957 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.782 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.2 OUTLIER 175.28 107.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.47 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 1.3 tt0 48.34 56.56 7.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.571 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -71.82 54.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 0.0 110.958 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 56.3 25.63 48.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.433 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -56.49 -167.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 179.959 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.883 ' H1 ' ' HA ' ' A' ' 72' ' ' CYS . 12.8 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 54.51 13.63 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.446 1.091 . . . . 0.0 110.019 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 1' ' ' CYS . 3.1 m -66.75 170.33 6.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.348 179.946 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -103.54 111.49 65.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.065 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.96 120.55 6.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.725 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -147.39 -133.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.725 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 37.08 83.46 0.2 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.574 -179.962 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.44 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.7 Cg_endo -74.94 3.56 5.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.55 1.816 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -140.32 -43.65 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.336 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.0 mt-30 -65.19 -4.14 4.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.793 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.36 -37.07 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.871 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.4 m-85 -85.98 -10.28 55.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.3 m -97.61 -15.06 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 108.306 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.82 -43.77 7.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.587 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.21 170.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER -149.46 13.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.856 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 3.3 p -164.93 87.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.958 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -98.45 121.27 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.57 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.42 126.02 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.673 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.0 mtp180 -77.7 39.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.236 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.989 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.14 166.2 3.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 15.7 ptmt -120.97 121.3 37.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.828 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.91 102.28 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.913 HG12 HG11 ' A' ' 78' ' ' VAL . 3.8 m -105.83 -35.05 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -116.39 162.11 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.103 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.4 mp0 -144.13 -175.19 4.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.693 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.3 ttpt -154.87 113.8 3.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' CG ' ' CE ' ' A' ' 41' ' ' LYS . 7.6 tt0 -74.73 92.08 2.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.559 HG13 ' HG2' ' A' ' 27' ' ' LYS . 4.9 m -97.79 96.56 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.497 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -46.72 146.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.665 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -134.82 18.48 3.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.62 -175.05 27.02 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.9 m-20 -84.22 166.13 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.0 t0 -96.16 -162.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.783 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -79.88 1.38 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -109.11 -0.61 19.31 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.61 -9.58 73.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.2 p-10 -77.67 154.19 81.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.08 130.28 13.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.665 HG21 ' OG ' ' A' ' 31' ' ' SER . 48.4 mt -71.83 -83.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.552 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 69.32 123.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.601 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -128.43 68.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.972 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.958 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.5 145.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.693 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.2 mm-40 -89.5 -178.44 5.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 1.043 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -136.98 68.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.3 tt0 -62.34 69.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.989 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.1 pt -68.0 -172.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.575 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.8 ttpt -124.28 7.81 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.575 ' O ' ' O ' ' A' ' 48' ' ' LYS . 13.0 mm100 39.37 103.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.496 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -111.24 -33.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.536 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -144.24 162.01 37.46 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.49 ' HA ' HG22 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -142.26 69.89 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.105 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -36.74 -78.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.951 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.59 ' HB3' HG23 ' A' ' 18' ' ' VAL . 8.2 tptp -128.53 70.09 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -116.33 -164.4 13.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.651 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -74.97 -168.03 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -95.49 -34.77 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.43 -79.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.591 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 1.4 t70 148.42 163.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.709 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.9 OUTLIER -104.17 -80.06 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.512 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 74.09 -7.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 110.328 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.536 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -141.68 93.74 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -100.3 170.22 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.594 1.184 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.683 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -124.27 160.01 28.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 1.043 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.9 t -174.54 -162.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.646 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -109.61 153.63 42.82 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.958 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -74.98 -160.7 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 62.59 -163.7 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.932 179.922 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.581 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 39.7 p -79.29 39.93 0.41 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.725 ' HB2' ' HB3' ' A' ' 75' ' ' SER . . . 75.87 97.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.566 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -107.48 -36.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.883 ' HA ' ' H1 ' ' A' ' 1' ' ' CYS . 17.1 m -127.09 18.27 7.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.933 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.539 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -157.12 -155.91 7.67 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.001 HG23 HD12 ' A' ' 104' ' ' ILE . 47.6 t -116.51 10.18 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.725 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 0.0 OUTLIER 22.95 88.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.003 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -107.76 128.76 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.601 1.188 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.571 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -117.39 -8.04 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.95 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.2 t 75.21 -34.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.31 -9.83 25.42 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.489 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -127.01 -37.59 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.556 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -94.66 -100.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.95 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.07 -68.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.208 179.973 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.543 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -159.86 163.36 34.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.155 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.5 p90 -146.97 153.12 39.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.715 HD11 HG23 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -84.37 3.86 33.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.155 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 8.99 102.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.078 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -124.78 110.97 14.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.616 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.15 -178.68 17.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.08 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.8 mttt -59.94 -19.05 49.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 0.735 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.856 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 75.88 -178.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.503 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 42.2 tt0 -125.77 -41.69 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.55 53.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 95' ' ' LYS . 12.6 t70 57.03 154.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 0.76 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.497 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 65.21 -4.82 1.64 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.709 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -179.65 144.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.759 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -147.43 -170.83 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.928 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.683 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -130.7 126.32 36.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.6 179.999 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.006 HD13 HG21 ' A' ' 63' ' ' ILE . 9.3 pt -134.58 140.86 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.669 ' O ' HD11 ' A' ' 104' ' ' ILE . 2.2 p -138.23 159.61 41.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.621 ' CD2' ' H1 ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER -60.96 -22.47 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -28.8 27.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.446 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 21.1 t0 -81.31 172.73 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.078 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -71.8 118.23 14.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.001 HD12 HG23 ' A' ' 74' ' ' VAL . 4.9 pt -164.73 137.04 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.715 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.49 157.89 31.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.61 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.06 10.85 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.673 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.0 t90 71.51 -60.36 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.639 ' O ' HG23 ' A' ' 109' ' ' THR . 38.2 t70 -70.01 52.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.674 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.7 p -158.16 -58.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.918 HD22 ' HB3' ' A' ' 114' ' ' GLN . 51.9 mt 13.06 -107.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 146.56 -41.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.59 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.43 -65.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.498 ' N ' HG22 ' A' ' 112' ' ' THR . 24.5 m -49.48 -28.04 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.918 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -82.32 -31.26 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.311 179.942 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.551 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -75.0 -41.99 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.428 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -61.55 -20.26 63.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.682 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.38 -10.37 41.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 110.017 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.105 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 49.6 mt -74.51 -28.01 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -98.93 7.02 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.524 ' CE1' ' HA ' ' A' ' 122' ' ' TYR . 0.0 OUTLIER -77.77 0.2 24.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.574 -179.954 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.75 -56.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.227 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.524 ' HA ' ' CE1' ' A' ' 120' ' ' HIS . 7.3 t80 175.17 95.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.063 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.48 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 1.7 tt0 47.25 56.0 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.612 1.195 . . . . 0.0 110.37 -179.907 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.97 55.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 58.45 21.89 50.07 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.41 ' SG ' ' HG3' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -58.58 -167.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.968 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.404 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 2.8 tm-20 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.549 ' SG ' HG23 ' A' ' 71' ' ' VAL . 1.6 p . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 163.82 42.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.76 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -66.12 -178.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 179.985 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.9 p -135.23 130.04 19.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.1 Cg_endo -74.96 127.65 10.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.436 1.756 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.756 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.6 p -146.4 -133.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.756 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 33.33 88.3 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.614 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.683 ' O ' HG22 ' A' ' 113' ' ' THR . 18.5 Cg_endo -74.88 3.12 5.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.549 1.815 . . . . 0.0 111.046 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.511 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 6.8 tp-100 -141.35 -45.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 6.5 mt-30 -63.78 -5.61 4.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.807 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.63 -37.97 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.873 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -87.3 3.21 47.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.431 1.082 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 1.7 m -112.5 -15.55 13.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 -179.935 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -97.1 -36.99 10.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.583 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.03 172.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -150.17 13.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.715 HG23 ' HD3' ' A' ' 56' ' ' PRO . 11.5 p -167.31 91.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.012 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -101.16 119.26 49.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.621 HG22 ' HG3' ' A' ' 52' ' ' MET . 1.0 OUTLIER -145.17 126.16 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.653 ' HD2' HD11 ' A' ' 50' ' ' ILE . 1.4 ttm180 -77.55 38.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.586 1.179 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.987 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -61.67 166.31 4.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.454 1.096 . . . . 0.0 110.488 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 13.9 ptmt -120.63 121.25 37.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.84 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.54 104.79 16.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.913 HG12 HG11 ' A' ' 78' ' ' VAL . 4.4 m -108.95 -34.18 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.9 t -116.69 166.51 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -149.56 179.84 7.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.663 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.7 ttpt -147.34 113.17 5.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 10.5 tt0 -74.33 90.83 2.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.379 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.595 HG13 ' HG2' ' A' ' 27' ' ' LYS . 10.8 m -98.07 94.6 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.507 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -44.32 147.25 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.663 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -134.67 17.74 3.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.75 -175.4 26.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.107 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 9.6 m-80 -84.45 165.89 17.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.78 -161.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.786 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.84 0.32 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -107.9 -0.41 21.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.14 -8.3 77.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -78.51 153.09 78.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -74.98 129.58 12.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.405 1.739 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.663 HG21 ' OG ' ' A' ' 31' ' ' SER . 48.8 mt -70.81 -82.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.554 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 68.69 123.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.088 . . . . 0.0 109.251 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.632 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 1.5 ptt180 -128.75 68.82 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.945 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -42.44 142.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.5 mm-40 -85.36 -176.34 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.343 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.933 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -138.28 70.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 14.2 tt0 -63.39 68.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.987 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.1 pt -66.71 -172.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.594 ' O ' ' O ' ' A' ' 49' ' ' GLN . 8.4 ttpt -123.63 10.91 9.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' A' ' 48' ' ' LYS . 12.8 mm100 35.79 101.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.653 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -111.25 -32.77 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -142.12 160.28 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.621 ' HG3' HG22 ' A' ' 19' ' ' ILE . 31.8 ttm -142.05 67.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.695 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 14.8 m-85 -39.45 -82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.537 ' C ' ' CE ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -123.67 76.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.411 ' N ' ' HE3' ' A' ' 54' ' ' LYS . . . -124.47 -162.89 11.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.715 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.0 Cg_endo -75.02 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -99.4 -34.34 10.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.311 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -72.97 -79.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.93 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.611 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.7 t70 149.57 165.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.621 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -106.94 -79.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.497 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER 74.36 -9.21 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.583 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -144.12 94.71 2.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.955 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.976 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -98.02 171.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.945 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.65 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -122.57 151.68 41.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.832 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 6.5 t -168.36 -162.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.627 ' HB1' HG22 ' A' ' 71' ' ' VAL . . . -107.99 153.3 41.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.945 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.04 -158.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.498 1.789 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 53.96 -170.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 110.025 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -71.03 53.09 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.592 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 61.78 102.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.765 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -110.32 -27.65 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.765 ' SG ' HG23 ' A' ' 71' ' ' VAL . 8.5 m -137.46 13.87 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 108.317 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.592 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -152.39 -152.71 6.03 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.968 HG23 HD12 ' A' ' 104' ' ' ILE . 50.6 t -114.68 3.14 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.237 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 74' ' ' VAL . 60.4 p 28.09 83.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.059 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.147 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.09 138.1 41.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.466 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.3 OUTLIER -126.73 0.53 6.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.02 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.2 t 70.93 -54.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.348 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.21 -12.63 1.43 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.443 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.25 -29.33 1.97 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.518 ' HZ2' ' HA ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -111.31 -93.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.02 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 163.71 -73.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -155.78 164.05 39.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.147 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.3 p90 -150.33 152.36 34.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 1.136 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.74 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.38 3.91 29.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.133 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.68 101.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.042 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -128.46 106.75 9.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.688 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -160.38 155.55 26.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -35.0 95.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 0.709 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.666 ' HB2' ' HB ' ' A' ' 17' ' ' VAL . . . -55.77 174.72 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.502 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 22.3 tp10 -118.6 -2.76 10.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 141.37 -109.98 0.62 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 0.0 111.063 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.505 ' OD1' ' CB ' ' A' ' 56' ' ' PRO . 77.1 m-20 -143.49 133.63 24.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.501 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 87.89 -4.37 85.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -174.6 141.66 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.755 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.45 -169.75 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.438 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -124.91 133.69 52.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 179.979 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.976 HD13 HG21 ' A' ' 63' ' ' ILE . 15.9 pt -145.28 137.41 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.628 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.8 OUTLIER -135.77 159.34 41.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.76 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER -55.49 -44.52 76.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.433 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -63.11 -32.34 73.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.476 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 5.4 t0 -74.11 168.2 20.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.042 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.96 119.28 14.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.968 HD12 HG23 ' A' ' 74' ' ' VAL . 3.4 pt -166.41 135.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.675 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.96 157.46 31.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.585 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 10.18 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.447 1.762 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 10.1 t90 72.88 -60.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.666 ' O ' HG23 ' A' ' 109' ' ' THR . 25.2 t70 -69.44 53.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.676 ' O ' ' C ' ' A' ' 110' ' ' LEU . 3.3 p -159.11 -56.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.99 HD22 ' HB3' ' A' ' 114' ' ' GLN . 65.3 mt 11.69 -106.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.66 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.1 m 145.45 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.614 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.62 -63.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.35 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 8' ' ' PRO . 6.0 m -50.34 -24.74 3.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.99 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -85.74 -38.49 18.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.561 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -65.33 -40.6 93.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.612 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -60.76 -20.56 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.634 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.73 -10.38 40.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.057 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.695 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -87.44 7.21 30.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.409 ' HB2' ' SD ' ' A' ' 124' ' ' MET . 19.2 m-80 -81.41 -72.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.666 ' CB ' ' HG2' ' A' ' 124' ' ' MET . 8.9 t60 -55.09 -102.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.607 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 120' ' ' HIS . 8.4 mtm180 -149.99 -80.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.497 ' HB3' ' CG ' ' A' ' 54' ' ' LYS . 11.8 p90 -132.17 11.63 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.0 OUTLIER -162.72 74.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.666 ' HG2' ' CB ' ' A' ' 120' ' ' HIS . 2.7 mmm -68.13 55.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 41.42 26.22 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.132 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.6 OUTLIER -68.47 -161.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 180.0 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.517 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 5.1 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.633 ' SG ' HG23 ' A' ' 71' ' ' VAL . 3.2 p . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.3 OUTLIER 158.81 64.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -95.43 158.54 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.281 179.993 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.417 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 19.4 p -92.47 121.37 66.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.999 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.466 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.04 121.36 6.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.579 1.831 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.759 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.8 p -148.4 -134.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.759 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 35.48 89.22 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HB2' ' NE2' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.08 -31.36 6.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.508 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.3 OUTLIER -96.62 -41.29 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.501 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -67.53 -6.34 19.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.923 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.763 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.49 -36.36 22.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.856 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.8 m-85 -89.78 2.07 55.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.491 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 1.2 m -110.73 -11.4 14.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -102.37 -42.17 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.556 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.23 171.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.48 15.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.852 HG21 ' SD ' ' A' ' 96' ' ' MET . 11.9 p -165.5 86.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.915 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.998 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -98.48 117.73 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.577 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -143.24 124.71 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.662 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.7 ttp180 -76.57 40.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.957 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.6 t -63.57 171.58 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.49 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 13.7 ptmt -125.08 120.53 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.862 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.7 102.69 14.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.901 HG12 HG11 ' A' ' 78' ' ' VAL . 3.4 m -105.23 -35.44 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.405 1.066 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -115.94 166.29 12.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.95 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.2 mp0 -150.56 -179.24 7.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.927 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -145.49 113.88 6.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.427 ' CG ' ' HE3' ' A' ' 41' ' ' LYS . 3.0 tt0 -74.38 93.0 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.543 HG13 ' HG2' ' A' ' 27' ' ' LYS . 27.4 m -106.42 122.64 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.241 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.54 160.89 18.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.563 ' OG ' HG21 ' A' ' 40' ' ' ILE . 2.2 t -148.16 19.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.601 1.188 . . . . 0.0 109.957 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.53 177.9 42.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.519 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 9.3 m-20 -85.19 164.5 18.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.2 t70 -95.72 -162.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.757 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.0 mp -79.7 0.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.31 -1.06 20.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.56 -8.74 76.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.145 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.0 p-10 -78.68 153.39 78.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.08 129.97 12.76 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.406 1.74 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.563 HG21 ' OG ' ' A' ' 31' ' ' SER . 52.5 mt -64.17 -78.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.631 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 12.1 tppt? 69.95 126.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.666 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -131.37 66.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.94 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -39.51 141.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.672 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 6.9 mm-40 -83.65 -177.94 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.95 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.81 70.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 12.7 tt0 -63.6 67.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.957 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.3 pt -66.57 -177.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.49 ' CE ' ' HD3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -118.74 -4.17 10.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.51 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 12.8 mm100 55.79 117.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.174 . . . . 0.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.451 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -124.09 -35.76 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' HG12 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -143.97 163.36 33.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.508 ' CE ' ' O ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -144.07 64.69 1.31 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 20.7 m-85 -39.39 -81.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.402 1.064 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.632 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -119.32 72.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.11 -166.92 12.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.721 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.04 -176.17 2.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.432 1.754 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -92.0 -32.6 15.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.666 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -71.91 -80.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.666 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.5 t70 149.27 163.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.712 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.3 mm -106.14 -79.07 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.394 1.059 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 75.64 -8.35 1.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -145.98 95.89 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.905 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -100.66 171.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.721 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -123.49 148.69 45.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.807 HG21 ' CE2' ' A' ' 45' ' ' TYR . 9.8 t -166.23 -165.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.569 1.168 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -99.61 154.52 37.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.94 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.02 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.517 1.798 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.04 -174.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.938 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.749 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 1.4 p -47.59 -44.65 26.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.051 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 158.11 105.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.694 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -108.84 -37.61 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.811 ' O ' HG22 ' A' ' 99' ' ' THR . 19.2 m -130.28 20.69 5.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 108.255 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.775 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -161.96 -156.12 8.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.768 HG23 ' CD1' ' A' ' 104' ' ' ILE . 69.9 t -115.66 -4.01 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 32.44 85.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.018 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.11 133.1 48.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.597 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -113.79 -9.49 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.961 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.057 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 76.88 -42.28 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -56.92 -11.7 6.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.488 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -121.31 -32.46 1.05 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.536 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.79 -98.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.057 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.11 -74.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.945 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 10.7 mp0 -151.65 161.15 43.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.149 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.8 p90 -145.37 153.4 41.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.802 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -83.0 2.83 32.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.149 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 10.28 99.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.052 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.18 107.77 11.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.599 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.01 165.94 26.11 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.711 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.5 tttm -39.47 -31.96 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.07 -178.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.585 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 4.0 tm-20 -136.0 -42.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.42 -146.33 8.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.515 ' O ' ' CE ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -102.43 125.71 49.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 87.75 -3.31 86.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -167.54 139.03 3.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.351 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.852 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -137.21 -157.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.721 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -143.36 124.1 14.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 -179.948 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.018 HD12 HG13 ' A' ' 86' ' ' ILE . 1.2 pt -138.6 143.29 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -141.04 164.52 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.719 HD22 ' HA ' ' A' ' 72' ' ' CYS . 1.2 pt? -58.94 -49.9 76.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.586 ' H ' HD23 ' A' ' 100' ' ' LEU . 5.4 t -62.76 -13.33 31.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 108.362 179.95 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.437 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.3 t0 -92.71 166.66 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.052 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -70.28 115.63 9.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.808 HG23 ' O ' ' A' ' 103' ' ' PHE . 5.9 pt -163.99 133.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.506 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -155.31 157.99 31.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.571 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.01 4.65 4.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.802 ' HD1' HD12 ' A' ' 85' ' ' LEU . 2.0 t90 77.97 -56.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.603 ' O ' HG23 ' A' ' 109' ' ' THR . 12.6 t0 -70.6 50.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.66 ' O ' ' C ' ' A' ' 110' ' ' LEU . 19.6 p -159.49 -60.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.66 ' C ' ' O ' ' A' ' 109' ' ' THR . 93.7 mt 16.28 -106.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.618 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.6 m 149.72 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.601 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.26 -68.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 110.446 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.539 ' N ' HG22 ' A' ' 112' ' ' THR . 1.1 m -47.71 -24.21 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.373 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.804 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -85.84 -32.84 21.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.509 ' HG3' ' CD1' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -71.43 -42.52 68.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.361 179.962 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -62.11 -21.16 64.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -87.45 -14.4 40.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -76.64 -15.83 59.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -75.08 -48.61 23.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.231 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.552 ' HB2' ' CG ' ' A' ' 124' ' ' MET . 0.5 OUTLIER -55.23 154.7 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.635 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.54 ' O ' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -72.59 -45.38 59.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.576 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.1 OUTLIER -177.95 91.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.491 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 1.8 tt0 62.2 66.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.552 ' CG ' ' HB2' ' A' ' 120' ' ' HIS . 2.4 mmt -71.34 55.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 55.27 25.1 39.27 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.92 -169.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.955 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.708 ' N ' ' HA ' ' A' ' 72' ' ' CYS . 77.3 m . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 60.81 12.41 3.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.37 164.83 20.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 108.325 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -103.43 109.76 62.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.962 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.06 127.43 10.64 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.774 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -154.58 -133.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.774 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.92 86.67 0.13 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.607 -179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.482 ' O ' HG22 ' A' ' 113' ' ' THR . 18.6 Cg_endo -74.94 0.9 8.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.543 1.812 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.49 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.5 OUTLIER -138.07 -42.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 3.2 mt-30 -64.83 -4.52 4.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.803 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.21 -37.37 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.871 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 2.4 m-85 -87.21 -1.76 58.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 -179.922 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.444 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 4.1 m -106.76 -15.38 14.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -97.06 -40.22 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.558 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -55.32 171.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.483 ' OD1' ' CZ ' ' A' ' 122' ' ' TYR . 1.4 m-20 -149.82 15.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 17' ' ' VAL . 7.3 p -166.77 89.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.984 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -101.14 119.51 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.678 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.1 pt -145.01 125.28 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.653 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.7 mtp180 -76.38 37.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.833 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -58.56 169.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.53 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.9 ptmt -124.17 118.06 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.78 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.45 102.37 14.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.934 HG12 HG11 ' A' ' 78' ' ' VAL . 8.6 m -107.23 -31.96 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.7 t -117.46 164.0 15.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.952 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.9 mp0 -148.99 -179.84 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.642 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.9 ttpt -145.82 112.97 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.59 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 4.2 tt0 -74.93 92.23 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.557 HG13 ' HG2' ' A' ' 27' ' ' LYS . 34.9 m -107.21 116.08 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.496 ' N ' ' NZ ' ' A' ' 41' ' ' LYS . 1.3 m-20 -56.91 161.34 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.617 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.4 t -146.59 18.02 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.957 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.42 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 77.15 177.88 46.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.514 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.3 m120 -84.46 163.77 19.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.773 . . . . 0.0 109.33 179.927 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.7 t0 -95.05 -161.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.784 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -81.19 0.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -108.8 -1.47 19.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.59 -9.0 77.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.8 p-10 -77.74 153.57 80.82 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.778 . . . . 0.0 109.369 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.1 129.52 12.33 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.617 HG21 ' OG ' ' A' ' 31' ' ' SER . 63.4 mt -64.99 -79.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.59 ' NZ ' ' HG2' ' A' ' 28' ' ' GLU . 18.2 tppt? 69.25 126.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.643 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -130.61 69.35 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.01 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -40.99 140.48 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.643 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 5.7 mm-40 -82.28 -179.25 7.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.994 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.34 67.8 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.617 1.198 . . . . 0.0 110.968 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 11.4 tt0 -62.72 72.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.833 HD12 ' CG2' ' A' ' 21' ' ' THR . 1.9 pt -67.85 -167.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.643 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.9 ttpt -132.41 10.34 4.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.232 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.643 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 42.76 110.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.53 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -118.88 -29.4 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.51 ' CD ' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -151.91 169.96 21.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.574 ' HG3' HG22 ' A' ' 19' ' ' ILE . 2.7 ttm -146.32 70.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.106 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.3 OUTLIER -41.88 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.973 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HB3' HG23 ' A' ' 18' ' ' VAL . 19.3 tptt -128.14 73.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.08 -155.93 8.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.54 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.07 -170.6 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -89.09 -35.35 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.36 -80.31 0.17 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.6 t70 153.86 171.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.664 HG21 ' HG2' ' A' ' 96' ' ' MET . 1.8 mm -98.31 -69.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER 72.36 -9.41 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.355 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.563 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.1 m-85 -146.2 99.31 3.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 111.005 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.074 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -105.22 172.16 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.782 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -127.24 150.6 49.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.77 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.7 t -166.14 -163.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.378 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -102.89 154.52 37.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.01 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.7 Cg_endo -74.99 -161.3 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.396 1.735 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.06 -172.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.733 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 3.7 p -47.92 -46.88 32.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 156.88 106.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.721 ' O ' HD22 ' A' ' 100' ' ' LEU . 1.1 m -109.33 -43.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.711 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 85.7 m -124.0 30.55 6.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.058 . . . . 0.0 108.311 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.658 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -171.22 -160.12 18.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.845 HG23 HD12 ' A' ' 104' ' ' ILE . 97.2 t -115.06 0.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.504 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 31.03 84.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.437 1.086 . . . . 0.0 110.023 -179.991 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.054 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.4 133.13 49.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.473 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -117.92 -2.27 11.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.962 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.59 -53.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.373 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.75 -15.58 0.33 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.911 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.467 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -117.28 -31.59 1.66 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.523 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -104.91 -94.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 0.728 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.962 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.9 -66.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.378 -179.965 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -163.28 168.66 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.163 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.2 p90 -152.22 154.05 35.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.753 HD11 HG23 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -84.48 2.78 39.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.163 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 11.16 101.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.364 -179.942 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.063 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -126.61 106.98 9.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.547 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.31 173.2 23.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.583 1.177 . . . . 0.0 111.023 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.702 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.9 tttm -40.62 -40.86 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 85.76 175.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.53 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.1 tp10 -132.86 3.78 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.31 -121.27 3.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -130.65 144.72 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 74.61 -0.16 56.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -176.15 139.77 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.745 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.53 -170.38 3.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.946 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.782 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -130.16 128.78 42.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.646 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.074 HD13 HG21 ' A' ' 63' ' ' ILE . 2.7 pt -138.4 143.61 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.562 ' O ' HD11 ' A' ' 104' ' ' ILE . 2.2 p -140.15 167.55 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.721 HD22 ' O ' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -65.79 -33.6 76.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.906 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -24.57 61.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.426 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.0 t0 -84.95 169.6 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.063 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -71.37 119.27 15.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.86 HG22 ' HA ' ' A' ' 86' ' ' ILE . 7.1 pt -165.14 137.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.753 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.18 158.59 32.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.222 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.6 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.2 Cg_endo -74.97 10.27 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.653 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 17.3 t90 72.02 -60.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.635 ' O ' HG23 ' A' ' 109' ' ' THR . 51.2 t0 -70.0 52.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.652 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.6 p -158.12 -59.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.874 HD22 ' HB3' ' A' ' 114' ' ' GLN . 57.9 mt 14.0 -107.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.942 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.641 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 146.69 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.25 -66.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.522 ' N ' HG22 ' A' ' 112' ' ' THR . 14.2 m -48.42 -27.58 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.874 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -83.94 -30.02 26.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 110.249 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.496 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -75.62 -40.83 55.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.447 ' CD ' HE22 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -62.14 -20.49 64.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.933 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.696 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -90.58 -13.04 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.015 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.106 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 50.2 mt -72.38 -29.96 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -39.6 63.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.672 ' HE2' ' H ' ' A' ' 123' ' ' GLN . 0.0 OUTLIER -62.43 128.74 37.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.607 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -41.95 -80.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.082 . . . . 0.0 110.33 179.964 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.566 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 0.4 OUTLIER -153.69 95.31 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.672 ' H ' ' HE2' ' A' ' 120' ' ' HIS . 2.2 tt0 63.36 65.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.453 ' HB2' ' HB2' ' A' ' 120' ' ' HIS . 2.8 mmt -70.86 53.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.94 21.44 16.82 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.945 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -167.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.941 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 1.036 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 63.2 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 57.91 11.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' H ' HD21 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -61.2 175.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 108.252 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.5 p -112.98 106.48 55.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.91 125.29 9.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.722 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.2 p -149.61 -132.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.722 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 36.74 87.4 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.629 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.67 ' O ' HG22 ' A' ' 113' ' ' THR . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.808 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.503 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 8.6 tp-100 -138.91 -43.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.6 mt-30 -65.29 -4.75 5.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.825 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.43 -36.43 22.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.897 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.6 m-85 -89.25 -1.56 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.68 -15.06 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 0.0 108.361 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.25 -39.93 9.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.549 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.57 172.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.02 15.77 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.931 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 3.5 p -165.64 87.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.004 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -100.26 119.96 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.582 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -144.95 123.22 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.75 ' HD2' HD11 ' A' ' 50' ' ' ILE . 2.1 ttm180 -75.7 39.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.414 1.072 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.916 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.2 t -60.39 172.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.569 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.8 ptmt -126.33 119.33 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.787 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.61 99.06 11.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.837 HG12 HG11 ' A' ' 78' ' ' VAL . 6.2 m -101.66 -35.72 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.488 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 4.6 t -115.09 164.24 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.7 mp0 -146.72 -173.26 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 20.0 ttpt -153.09 119.04 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.39 1.056 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' C ' ' HZ2' ' A' ' 41' ' ' LYS . 6.2 tt0 -79.51 94.93 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.644 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 33.2 m -108.86 92.99 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.87 141.33 10.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.498 ' OG ' HG21 ' A' ' 40' ' ' ILE . 3.0 t -122.8 32.8 5.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.13 -171.45 0.58 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.547 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -86.19 164.79 17.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 0.811 . . . . 0.0 109.342 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.6 t0 -96.47 -160.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.771 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.5 1.93 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -107.64 -2.57 20.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.26 -6.86 82.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.547 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 11.7 p-10 -83.14 153.21 66.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.258 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 129.29 12.18 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.525 1.803 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.498 HG21 ' OG ' ' A' ' 31' ' ' SER . 65.3 mt -69.61 -80.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.99 ' HZ3' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER 71.77 121.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.541 ' N ' ' HE2' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -137.58 76.03 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 -179.995 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.99 HD12 ' HZ3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -49.89 153.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.698 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 7.0 mm-40 -90.96 178.74 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.944 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.54 68.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.488 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 12.3 tt0 -63.25 71.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.916 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.2 pt -68.38 -168.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.605 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.7 ttpt -131.15 13.72 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 39.01 105.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.95 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.75 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -115.66 -27.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -151.62 161.61 42.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.473 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.05 78.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.969 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.776 ' CE2' HD22 ' A' ' 118' ' ' LEU . 10.7 m-85 -53.09 -69.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.846 ' HB3' HG23 ' A' ' 18' ' ' VAL . 3.8 tptt -133.25 165.18 25.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.538 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 126.31 -137.01 9.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 111.029 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.453 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.94 -167.84 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -112.3 -30.27 7.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.96 -78.31 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.3 t0 154.76 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.647 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -104.15 -72.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.25 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.8 mt-10 73.69 -9.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.314 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.544 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -146.24 97.99 3.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.547 1.154 . . . . 0.0 111.051 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.991 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -103.86 165.65 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.596 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.2 m-85 -120.68 146.03 46.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.92 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.901 HG21 ' CE2' ' A' ' 45' ' ' TYR . 10.1 t -164.65 -161.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.354 -179.93 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.659 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -105.61 146.13 32.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.968 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.03 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 65.92 -159.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.607 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 92.3 p -78.91 31.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.607 ' HB2' ' CB ' ' A' ' 75' ' ' SER . . . 78.23 106.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.539 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -113.04 -38.98 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 1.036 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 14.2 m -124.26 14.33 8.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.56 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -152.42 -154.65 6.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.941 HG23 HD12 ' A' ' 104' ' ' ILE . 68.6 t -111.36 -2.7 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.607 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 16.4 p 34.53 80.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.094 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -104.24 130.89 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.59 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.65 -10.67 11.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.926 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.017 HG22 ' O ' ' A' ' 82' ' ' LYS . 2.1 t 74.51 -15.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.631 1.207 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -75.05 -7.87 82.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.489 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -133.15 -31.0 0.45 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.528 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -97.76 -99.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.017 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 167.41 -72.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 16.8 mp0 -154.62 162.4 41.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.233 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.144 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.3 p90 -143.93 152.52 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.81 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.32 3.02 33.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.144 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.89 102.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.019 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -131.18 103.09 6.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.517 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -157.89 166.3 33.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -37.88 97.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.931 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -63.52 174.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.4 tp10 -124.47 4.29 8.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.95 -120.43 2.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.1 133.8 41.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 88.28 -3.28 85.49 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.647 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.44 143.25 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.731 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -147.98 -169.65 3.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.48 131.32 51.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.6 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.991 HD13 HG21 ' A' ' 63' ' ' ILE . 7.8 pt -142.79 143.79 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.597 ' O ' HD11 ' A' ' 104' ' ' ILE . 0.8 OUTLIER -142.09 162.76 34.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -58.74 -43.16 90.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -63.96 -31.97 73.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.289 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.43 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.8 t0 -75.13 167.57 21.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.019 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -70.78 119.66 15.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.941 HD12 HG23 ' A' ' 74' ' ' VAL . 5.0 pt -165.99 134.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.584 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.79 157.53 31.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.578 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.02 7.12 3.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.675 ' CZ3' ' CZ ' ' A' ' 20' ' ' ARG . 3.3 t90 75.47 -57.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.599 ' O ' HG23 ' A' ' 109' ' ' THR . 10.5 t70 -69.7 50.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.706 ' O ' ' C ' ' A' ' 110' ' ' LEU . 13.1 p -158.65 -52.16 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.924 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.986 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.0 mt 6.03 -107.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.651 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.6 m 146.46 -41.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.041 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.622 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.04 -63.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.379 179.942 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 8' ' ' PRO . 5.2 m -49.82 -21.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.342 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.986 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -88.92 -40.12 13.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.767 ' HA ' HD12 ' A' ' 118' ' ' LEU . 1.4 mtmt -65.84 -37.97 87.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.648 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.22 -20.98 64.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.595 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -89.94 -20.59 23.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.776 HD22 ' CE2' ' A' ' 53' ' ' PHE . 1.3 mt -78.61 -0.87 31.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -74.87 -60.55 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.648 ' HB2' ' HG2' ' A' ' 124' ' ' MET . 4.1 m170 -63.84 -99.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.538 ' CD ' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -159.9 -77.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.295 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.431 ' HB3' ' HG2' ' A' ' 54' ' ' LYS . 29.7 p90 -129.22 3.75 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.0 OUTLIER -160.68 76.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 -179.969 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.648 ' HG2' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -67.1 55.6 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 111.014 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 40.29 27.77 0.16 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 9' ' ' GLN . 0.5 OUTLIER -66.86 -168.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.407 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 4.2 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 1.025 ' O ' HD21 ' A' ' 100' ' ' LEU . 42.5 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.562 ' HA ' HD11 ' A' ' 100' ' ' LEU . 8.5 p -64.11 67.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.996 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.545 ' N ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -85.28 167.66 15.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 108.315 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 53.4 p -84.44 121.99 75.14 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.95 69.63 5.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.707 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -83.18 -134.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.707 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 39.38 95.58 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.623 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.499 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 18.3 Cg_endo -75.03 -33.69 4.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.481 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -113.73 -33.99 5.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 0.0 110.368 179.964 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.619 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.4 OUTLIER -61.92 -11.32 12.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.236 -179.978 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.8 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.17 -36.74 24.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.876 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.7 m-85 -88.3 0.01 56.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.453 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 3.6 m -108.32 -11.45 15.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 108.318 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.619 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.4 OUTLIER -101.01 -41.44 6.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.229 -179.94 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.626 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.56 170.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.603 1.189 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -148.73 14.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.79 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 9.2 p -165.65 88.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.011 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.75 116.51 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.68 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -141.33 124.77 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.658 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.3 mtp180 -76.25 39.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.892 HG21 HD12 ' A' ' 47' ' ' ILE . 2.7 t -60.37 177.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.6 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.3 ptmt -132.75 119.49 20.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.807 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.01 99.12 11.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.881 HG12 HG11 ' A' ' 78' ' ' VAL . 2.8 m -100.48 -37.51 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.2 -179.94 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.565 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -105.54 170.72 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.948 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.548 ' HG3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -155.32 151.54 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.281 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.701 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.5 ttpt -124.62 105.13 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 1.4 tt0 -72.41 90.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.945 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.512 HG13 ' HG2' ' A' ' 27' ' ' LYS . 27.0 m -101.68 126.09 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.517 ' CG ' ' HZ3' ' A' ' 41' ' ' LYS . 3.1 m-20 -68.24 159.42 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.605 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.8 t -144.72 18.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.63 -179.81 43.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.51 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 7.3 m-20 -85.33 164.19 18.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.5 t0 -95.18 -161.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.784 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.77 -0.49 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -107.27 -0.37 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.23 -8.24 77.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.418 1.074 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.51 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.6 p-10 -78.68 153.09 78.28 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.6 Cg_endo -75.01 128.66 11.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.605 HG21 ' OG ' ' A' ' 31' ' ' SER . 47.4 mt -64.63 -79.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.634 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 11.9 tppt? 69.19 125.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.683 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -129.97 67.78 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.937 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -38.81 145.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.701 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 11.7 mm-40 -91.05 -179.88 5.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.987 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.7 OUTLIER -136.4 69.05 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.178 . . . . 0.0 111.004 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.565 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.6 tt0 -62.93 68.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.892 HD12 HG21 ' A' ' 21' ' ' THR . 2.7 pt -64.88 -170.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -129.56 2.01 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.497 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 55.3 119.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.647 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -126.98 -27.93 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.53 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -157.36 169.23 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.524 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -145.33 66.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.952 -179.952 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.112 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -36.95 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.622 ' HB3' HG23 ' A' ' 18' ' ' VAL . 2.0 tptt -127.93 69.8 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.85 -157.06 9.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.708 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.98 -174.87 2.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -92.53 -32.84 14.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.347 179.929 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -77.57 -80.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 151.39 169.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.617 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.3 mm -102.38 -72.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.542 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 75.1 -7.76 1.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.593 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -149.24 102.61 3.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.911 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.056 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -108.44 164.37 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 4.4 m-85 -117.51 152.97 33.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.987 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.9 t -169.81 -160.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.742 ' HB1' HG22 ' A' ' 71' ' ' VAL . . . -104.32 155.1 37.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.937 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.06 -159.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.47 1.773 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.93 -174.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.784 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 2.1 t -52.4 -32.17 37.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 149.34 108.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.742 HG22 ' HB1' ' A' ' 66' ' ' ALA . 1.3 m -110.05 -45.2 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.764 ' HA ' HD22 ' A' ' 100' ' ' LEU . 71.0 m -124.32 15.62 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.215 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.646 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -151.04 -158.41 8.3 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.78 HG23 ' CD1' ' A' ' 104' ' ' ILE . 52.9 t -114.24 -4.58 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.506 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 35.72 89.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.965 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -106.28 131.58 53.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.518 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -114.98 -6.24 12.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.946 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.948 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 70.78 -48.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 -179.971 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.463 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.43 -18.07 0.3 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.497 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -117.38 -34.97 1.14 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.555 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -97.05 -97.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 0.0 109.332 -179.956 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.948 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.58 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -159.37 164.2 34.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.16 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -146.67 153.89 40.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.591 1.182 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.764 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.66 3.55 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.16 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.76 102.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.031 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -127.47 112.12 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.426 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -145.41 -179.16 21.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.661 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -49.11 -34.62 14.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.79 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 81.63 173.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.534 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 11.1 tp10 -134.68 6.85 3.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.2 -123.65 4.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -128.47 144.02 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 78.58 -3.49 63.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.617 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -175.61 144.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.783 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.702 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.83 -169.18 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.961 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.55 129.87 48.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.6 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.056 HD13 HG21 ' A' ' 63' ' ' ILE . 2.2 pt -143.16 143.0 25.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.556 ' OG1' ' HB2' ' A' ' 102' ' ' ASP . 0.6 OUTLIER -138.95 166.67 23.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.025 HD21 ' O ' ' A' ' 1' ' ' CYS . 0.9 OUTLIER -62.09 -50.62 71.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.246 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.566 ' H ' HD23 ' A' ' 100' ' ' LEU . 5.3 t -62.63 -14.63 45.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.319 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.556 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 12.9 t0 -89.33 168.58 12.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.031 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -71.38 115.14 10.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.426 1.079 . . . . 0.0 111.015 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.832 HG23 ' O ' ' A' ' 103' ' ' PHE . 6.3 pt -164.6 135.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.703 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.75 158.34 32.18 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.612 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 11.54 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.658 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.9 t90 70.7 -61.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.632 ' O ' HG23 ' A' ' 109' ' ' THR . 48.1 t0 -69.12 52.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.659 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.6 p -157.92 -57.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.443 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.007 HD22 ' HB3' ' A' ' 114' ' ' GLN . 62.5 mt 14.17 -107.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.4 m 148.43 -42.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.603 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.05 -59.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.37 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.598 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 31.8 m -54.72 -22.96 15.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.446 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.007 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -86.78 -34.43 19.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.944 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.543 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -69.48 -38.54 77.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.598 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 3.0 pttt -63.73 -17.12 62.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.697 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.23 -5.98 32.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.112 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 22.6 mt -75.85 -30.25 58.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -100.58 8.0 43.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.611 ' CD2' ' O ' ' A' ' 117' ' ' SER . 0.1 OUTLIER -92.46 31.26 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.561 -179.931 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 45.32 -92.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.786 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 1.7 p90 -150.94 95.94 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.072 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 125' ' ' GLY . 1.0 OUTLIER 55.84 62.59 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.355 -179.925 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.0 57.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 50.87 25.97 10.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.4 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -56.21 -169.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.992 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.995 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 1.5 p 155.22 39.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.686 ' H ' HD21 ' A' ' 100' ' ' LEU . 2.8 m -64.4 -169.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 108.331 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.3 p -125.61 118.59 24.51 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.5 Cg_endo -74.96 85.29 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.73 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.6 p -103.16 -133.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.73 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 33.51 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.601 179.979 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.442 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 18.2 Cg_endo -74.96 3.4 5.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.429 ' OE1' ' OG ' ' A' ' 117' ' ' SER . 4.1 tp-100 -140.05 -41.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.582 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -64.9 -7.58 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.967 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.782 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.45 -35.26 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.859 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-85 -90.51 7.78 37.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 123' ' ' GLN . 2.1 m -117.16 -11.06 10.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 108.333 179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.582 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -101.03 -38.14 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.642 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.51 173.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -148.97 11.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.664 HG21 ' SD ' ' A' ' 96' ' ' MET . 2.6 p -167.25 90.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.919 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -99.74 119.44 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.57 HD11 ' HE2' ' A' ' 96' ' ' MET . 0.6 OUTLIER -144.29 125.1 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.689 ' CZ ' ' CZ2' ' A' ' 107' ' ' TRP . 3.2 mtp180 -76.32 39.92 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.878 HG21 HD12 ' A' ' 47' ' ' ILE . 1.8 t -61.48 175.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.102 . . . . 0.0 110.404 -179.953 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.695 ' HG2' HG22 ' A' ' 50' ' ' ILE . 13.6 ptmt -130.35 119.69 23.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.838 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -93.34 101.53 13.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.928 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.894 HG12 HG11 ' A' ' 78' ' ' VAL . 2.8 m -103.61 -33.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.491 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 6.7 t -117.76 162.22 18.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -145.66 -174.56 4.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.97 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.635 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.2 ttpt -152.84 113.01 3.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.492 ' HG3' HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -75.67 90.6 2.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.234 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.546 HG13 ' HG2' ' A' ' 27' ' ' LYS . 21.2 m -99.46 83.41 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.74 143.07 2.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.491 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.0 t -127.06 32.02 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.96 -171.64 7.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.444 1.09 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.541 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -83.89 165.09 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' ASN . 5.2 t70 -96.27 -162.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.765 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -79.74 0.91 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -107.63 -3.05 19.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.97 -6.92 83.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.541 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.5 p-10 -80.63 153.35 73.28 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.506 0.768 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.05 128.2 11.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.46 1.769 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 31' ' ' SER . 36.8 mt -70.92 -94.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 40' ' ' ILE . 25.0 ttmt 73.73 125.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.643 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -129.58 68.62 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.952 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.992 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -37.96 143.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.643 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 8.1 mm-40 -86.2 -177.73 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.964 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -138.69 65.3 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.949 -179.959 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.491 ' HB3' ' HB3' ' A' ' 25' ' ' SER . 9.8 tt0 -60.49 71.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.878 HD12 HG21 ' A' ' 21' ' ' THR . 2.8 pt -67.41 -173.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.8 ttpt -125.76 -0.23 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.478 ' NE2' ' OD1' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 57.8 124.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.695 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -130.14 -30.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.52 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -156.14 169.83 23.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.448 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -145.62 70.16 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.996 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.966 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -39.76 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.974 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -133.05 65.12 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.09 -156.21 10.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.575 1.172 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.533 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.98 -166.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.598 1.841 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.53 -37.13 12.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -81.08 -82.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.953 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 6.2 t0 159.56 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.931 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.803 HG21 ' HG2' ' A' ' 96' ' ' MET . 1.2 mm -98.6 -72.71 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.373 179.947 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.582 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 73.01 -6.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.96 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.598 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.0 OUTLIER -149.8 98.36 2.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.974 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.04 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -105.4 171.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.956 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.734 ' CD1' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -122.84 150.04 43.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 1.084 . . . . 0.0 110.971 -179.957 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.852 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.2 t -166.44 -171.2 1.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.381 179.936 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.916 ' HB1' HG22 ' A' ' 71' ' ' VAL . . . -100.15 150.36 36.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.992 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -75.0 -160.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.457 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 58.07 -165.03 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.972 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 95.1 p -74.93 43.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.054 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.702 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 71.1 104.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.916 HG22 ' HB1' ' A' ' 66' ' ' ALA . 1.4 m -106.9 -34.94 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.656 ' HA ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -134.4 14.77 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.267 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.702 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -149.07 -158.94 8.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.827 HG23 ' CD1' ' A' ' 104' ' ' ILE . 70.9 t -111.56 -1.44 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 0.771 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 74' ' ' VAL . 67.0 p 31.98 83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.142 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.41 132.83 49.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.583 ' C ' ' H ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -116.6 -8.74 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.233 -179.947 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.894 HG11 HG12 ' A' ' 24' ' ' VAL . 1.2 t 74.27 -29.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.583 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -62.14 -11.4 32.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.568 1.167 . . . . 0.0 110.991 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.477 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -127.79 -34.53 0.55 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.551 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -94.27 -101.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.833 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 166.42 -63.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.6 OUTLIER -162.21 167.15 24.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.18 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -151.03 153.79 35.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.445 1.09 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.728 HD11 HG23 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -83.52 3.58 31.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.238 -179.958 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.18 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 9.83 103.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.016 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.66 106.76 8.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.586 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -157.39 170.92 34.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -48.76 97.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.648 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . -52.43 178.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 32.0 tt0 -118.64 -34.41 4.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.946 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.523 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 149.86 51.5 0.02 OUTLIER Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.523 ' O ' ' O ' ' A' ' 92' ' ' GLY . 1.8 m-20 55.35 153.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 65.62 -3.68 2.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -179.78 140.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.803 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -147.8 -173.27 4.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.734 ' CD2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.24 129.21 50.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.577 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.04 HD13 HG21 ' A' ' 63' ' ' ILE . 3.7 pt -140.03 138.19 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.593 ' O ' HD11 ' A' ' 104' ' ' ILE . 1.6 p -136.92 168.08 20.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.686 HD21 ' H ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -63.17 -43.08 99.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -64.89 -26.26 68.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.294 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.485 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 2.9 t70 -81.83 169.69 16.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.016 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -73.11 119.14 16.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.995 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.872 HG23 ' O ' ' A' ' 103' ' ' PHE . 6.9 pt -165.76 136.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.387 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.728 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.0 158.39 32.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.4 Cg_endo -74.9 11.09 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.409 1.741 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.689 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 17.5 t90 71.68 -62.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 107.961 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.638 ' O ' HG23 ' A' ' 109' ' ' THR . 8.6 t70 -69.67 53.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.689 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.2 p -158.26 -54.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.933 HD22 ' HB3' ' A' ' 114' ' ' GLN . 51.3 mt 8.55 -107.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 147.66 -39.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.617 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.29 -65.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.418 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.518 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 22.6 m -48.21 -27.4 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.465 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.933 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -82.92 -35.94 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.239 -179.979 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -67.74 -42.68 81.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.518 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.76 -18.12 58.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.653 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -92.63 -15.33 26.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.964 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.966 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 93.9 mt -72.62 -28.47 62.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -92.46 -18.05 23.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.369 179.893 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.587 ' CD2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -86.68 35.61 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.626 179.992 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.502 ' HD3' ' N ' ' A' ' 121' ' ' ARG . 1.8 mpt_? 63.03 -96.35 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.086 . . . . 0.0 110.336 -179.937 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.548 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 13.3 p90 -165.51 13.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.548 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 2.7 tt0 173.66 58.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.209 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.587 ' SD ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -72.82 54.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.976 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 47.6 23.0 1.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.7 OUTLIER -60.25 -165.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.437 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.249 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.881 ' H2 ' ' CD2' ' A' ' 100' ' ' LEU . 37.6 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.403 ' OG ' ' C ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 67.46 3.08 3.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.954 -179.984 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 m -55.75 -178.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.293 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.8 p -114.13 110.37 48.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.454 1.765 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.718 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.1 p -140.48 -132.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.718 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 33.97 84.49 0.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.628 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.715 ' O ' HG22 ' A' ' 113' ' ' THR . 18.0 Cg_endo -75.07 3.34 5.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 5.9 tp-100 -138.23 -43.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 4.7 mt-30 -65.39 -5.77 8.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.221 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.827 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.45 -36.19 24.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.929 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.5 m-85 -88.43 1.74 54.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 2.8 m -111.43 -14.63 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.356 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -96.4 -39.13 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.935 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.602 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -52.97 170.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.21 11.8 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.64 HG11 ' SD ' ' A' ' 96' ' ' MET . 10.8 p -165.7 93.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.982 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -103.15 119.4 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.535 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -143.14 126.4 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.922 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.688 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 5.2 mtp180 -77.34 37.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 179.942 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.859 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.6 t -61.09 166.3 3.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 18.4 ptmt -123.1 120.2 32.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.603 1.189 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.832 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -91.76 101.2 13.8 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.641 ' CG1' HG11 ' A' ' 78' ' ' VAL . 1.1 m -101.86 -35.23 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 3.3 t -119.2 165.38 14.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.4 mp0 -147.82 -174.64 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.4 ttpt -153.2 118.35 5.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' CG ' ' HD2' ' A' ' 41' ' ' LYS . 7.6 tt0 -77.67 94.96 4.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.924 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG13 ' HG2' ' A' ' 27' ' ' LYS . 15.5 m -105.32 109.57 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 109.377 179.941 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.49 154.13 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.381 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.643 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -141.13 18.71 2.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 -179.969 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.405 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 73.6 178.7 37.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.0 m120 -84.23 164.03 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.4 t0 -95.28 -161.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.771 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.12 0.14 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.391 179.895 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -107.98 -0.78 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.36 -8.71 76.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.527 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -78.35 153.03 79.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.261 -179.925 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.99 129.44 12.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.643 HG21 ' OG ' ' A' ' 31' ' ' SER . 58.1 mt -65.88 -79.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.605 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 14.0 tppt? 69.11 124.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.597 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.86 66.53 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.936 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.942 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -37.37 149.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 -179.959 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.649 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.4 mm-40 -91.06 -178.97 5.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.929 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.2 70.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 -179.968 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 11.8 tt0 -65.02 66.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.57 1.168 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 1.014 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.5 pt -63.84 -170.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.936 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.61 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.9 ttpt -128.38 10.22 6.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.61 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.1 tp-100 43.66 108.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.477 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -117.78 -26.16 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -158.0 167.36 30.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' PHE . 8.8 ptm -145.77 68.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.071 ' CE2' HD22 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -37.1 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.938 -179.939 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -127.03 74.79 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -130.01 -163.26 11.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.615 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.98 -172.39 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.793 . . . . 0.0 111.053 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.23 -37.61 21.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -73.63 -86.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 2.1 t70 151.6 163.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.988 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.057 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.3 OUTLIER -118.77 75.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.507 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -70.08 -5.68 28.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.248 179.979 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.541 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 7.5 m-85 -134.87 92.37 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.949 HG21 HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -96.26 166.54 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.599 ' CE1' ' OE1' ' A' ' 44' ' ' GLN . 18.8 m-85 -117.26 147.41 42.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 111.065 179.953 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.836 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.4 t -164.77 -168.05 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.784 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -99.32 153.46 37.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.942 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -74.92 -161.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.99 -175.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.934 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.743 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 6.7 t -45.6 -46.93 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.798 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 158.72 101.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.597 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -105.97 -41.13 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.784 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 24.6 m -126.72 25.37 6.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 108.206 -179.944 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.798 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -166.95 -160.13 13.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.892 HG23 HD12 ' A' ' 104' ' ' ILE . 74.2 t -112.59 -4.97 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER 33.88 82.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.903 179.937 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.023 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.19 132.29 48.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.592 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -112.59 -11.08 13.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.952 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.641 HG11 ' CG1' ' A' ' 24' ' ' VAL . 2.6 t 73.98 -15.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -75.85 -12.14 84.13 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.462 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -128.59 -22.37 1.32 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.524 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -104.43 -97.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 109.358 179.92 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.516 ' C ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 162.93 -58.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.516 ' HG3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -167.64 169.86 11.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.107 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.7 p90 -152.64 152.78 32.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.744 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.77 2.58 37.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.107 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.53 102.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.055 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.16 109.34 11.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -142.89 174.01 23.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.685 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -46.42 -28.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 82.6 175.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.565 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 6.7 tp10 -132.67 -10.78 3.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.3 -125.1 2.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -124.77 144.5 50.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.746 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 75.35 -3.69 46.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.154 . . . . 0.0 110.949 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.828 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -177.92 138.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 0.799 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 1.057 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -133.34 -161.37 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.965 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.428 ' ND1' ' OE1' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -131.46 122.59 26.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.659 179.998 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.044 HD12 HG13 ' A' ' 86' ' ' ILE . 2.5 pt -138.02 134.74 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 72' ' ' CYS . 1.3 p -135.12 167.99 19.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.881 ' CD2' ' H2 ' ' A' ' 1' ' ' CYS . 0.3 OUTLIER -63.93 -31.98 73.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -24.86 58.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 108.282 -179.988 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.411 ' O ' HG12 ' A' ' 104' ' ' ILE . 10.0 t0 -85.31 168.05 15.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.055 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -69.92 118.27 12.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.892 HD12 HG23 ' A' ' 74' ' ' VAL . 6.6 pt -164.93 134.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.647 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -153.48 158.84 32.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 -179.945 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 17.9 Cg_endo -75.04 10.92 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.688 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 20.8 t90 71.4 -61.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.029 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 109' ' ' THR . 46.1 t0 -70.45 52.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.39 179.944 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.659 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -157.08 -58.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.466 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.008 HD22 ' HB3' ' A' ' 114' ' ' GLN . 56.1 mt 14.91 -107.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.654 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.8 m 146.37 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.947 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.622 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.03 -63.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 8' ' ' PRO . 3.4 m -50.76 -22.9 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 -179.951 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.008 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -87.9 -34.73 18.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.324 179.981 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.926 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -70.19 -39.82 74.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.565 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.47 -14.82 45.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.43 -12.28 21.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.94 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.071 HD22 ' CE2' ' A' ' 53' ' ' PHE . 4.2 mt -86.87 1.71 51.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -74.33 -50.03 20.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.685 ' CE1' ' CE ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -77.42 -108.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.666 ' HG2' ' C ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -148.42 -72.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.365 179.979 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 19.3 p90 -135.24 10.5 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.6 OUTLIER -166.05 75.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 179.992 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.685 ' CE ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -67.0 54.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 0.0 110.992 -179.995 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 43.86 23.98 0.44 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 179.954 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.6 OUTLIER -63.17 -166.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.939 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.437 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 3.8 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.242 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.749 ' O ' ' CB ' ' A' ' 2' ' ' SER . 93.9 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.749 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 83.6 p 117.83 -20.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.019 -179.906 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 4' ' ' SER . 1.7 t -41.26 161.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 108.357 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.464 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 23.4 p -94.53 112.4 57.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.2 7.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.458 1.767 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.764 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.3 p -148.6 -133.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.764 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 40.01 89.57 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.602 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.02 -29.09 8.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.477 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 4.1 tp-100 -108.58 -27.12 10.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -76.79 -9.33 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 179.991 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -83.13 -35.95 25.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.913 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -90.83 6.95 42.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.961 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.488 ' HA ' ' HB2' ' A' ' 123' ' ' GLN . 11.4 m -116.04 -7.94 11.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.425 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.3 OUTLIER -105.83 -39.25 6.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 179.936 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.628 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.04 171.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.67 14.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 88' ' ' GLY . 8.6 p -166.4 88.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.924 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -99.96 118.19 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 52' ' ' MET . 0.9 OUTLIER -142.15 125.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.625 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 9.9 ttp85 -77.19 40.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.937 HG21 HD12 ' A' ' 47' ' ' ILE . 2.5 t -62.73 176.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.518 ' HG2' HG22 ' A' ' 50' ' ' ILE . 14.2 ptmt -129.44 120.36 25.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.842 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.06 104.63 16.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.891 HG12 HG11 ' A' ' 78' ' ' VAL . 3.2 m -107.95 -35.28 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 5.4 t -115.31 161.27 18.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -143.42 -172.69 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 1.067 . . . . 0.0 110.245 -179.956 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.2 ttpt -154.86 118.24 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 2.7 tt0 -77.72 94.81 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.554 HG13 ' HG2' ' A' ' 27' ' ' LYS . 11.5 m -103.72 83.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.28 142.24 7.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.467 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.3 t -127.76 32.06 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.96 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 40' ' ' ILE . . . 59.54 -170.45 6.09 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.515 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.2 m120 -84.02 165.66 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.594 0.82 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' ASN . 4.8 t70 -95.97 -161.66 0.89 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.757 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.9 mp -80.92 0.39 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -107.42 -1.17 21.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.87 -8.52 77.63 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.515 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.6 p-10 -79.08 153.47 77.3 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.96 129.93 12.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.778 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.467 HG21 ' OG ' ' A' ' 31' ' ' SER . 40.7 mt -73.79 -94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.531 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 28.7 ttmt 71.94 123.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.619 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -130.0 73.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.686 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -40.23 153.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.698 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 11.8 mm-40 -94.08 -178.24 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 1.06 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.5 OUTLIER -135.77 67.39 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.999 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.9 tt0 -62.15 70.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.937 HD12 HG21 ' A' ' 21' ' ' THR . 3.2 pt -67.36 -173.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.1 ttpt -123.6 -2.51 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 57.17 123.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.606 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -132.65 -33.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -147.8 164.23 34.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.944 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.553 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -145.58 67.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.968 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.762 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 20.5 m-85 -39.7 -77.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.569 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.24 71.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.53 -157.61 9.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.474 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.04 -173.22 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.812 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -83.76 -36.92 23.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.382 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -85.03 -78.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.1 t70 154.64 171.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.736 HG23 ' N ' ' A' ' 95' ' ' LYS . 2.0 mm -94.36 -72.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.593 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 73.57 -5.86 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -147.77 97.12 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.027 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -107.86 169.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.622 ' CE2' ' OE1' ' A' ' 44' ' ' GLN . 5.0 m-85 -122.01 157.85 30.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.922 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 1.06 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.9 t -174.9 -161.64 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.453 ' CB ' ' H ' ' A' ' 72' ' ' CYS . . . -92.65 153.11 42.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.686 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 -61.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.576 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -38.87 168.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.77 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 11.1 p -37.9 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 -179.942 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 152.11 95.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.576 ' CG1' ' HB2' ' A' ' 68' ' ' SER . 0.8 OUTLIER -106.96 -44.35 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.882 ' O ' HG22 ' A' ' 99' ' ' THR . 8.3 m -118.01 18.35 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 108.317 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.601 ' HA2' ' N ' ' A' ' 100' ' ' LEU . . . -160.18 -157.54 8.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.85 HG23 HD12 ' A' ' 104' ' ' ILE . 88.3 t -112.4 -18.25 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.362 179.909 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 50.03 86.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.958 -179.967 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.955 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -104.55 132.17 51.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.531 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.32 -4.96 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.049 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER 74.12 -53.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.98 -15.41 0.55 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.52 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -115.8 -33.02 1.61 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.52 ' HE2' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -105.34 -97.04 0.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.049 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.85 -77.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.408 1.068 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 106' ' ' PRO . 12.1 mp0 -150.2 157.73 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.143 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -142.45 154.5 44.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.415 1.072 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.813 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.54 0.64 45.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.143 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 12.37 99.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.034 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -123.97 107.15 11.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.841 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -156.02 163.92 32.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -44.57 95.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.677 ' HB2' ' HB ' ' A' ' 17' ' ' VAL . . . -50.48 -179.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 71.1 tt0 -120.13 -38.0 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.894 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.58 50.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.508 ' O ' ' O ' ' A' ' 92' ' ' GLY . 0.9 OUTLIER 56.54 152.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.468 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 66.5 -3.22 3.71 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.42 1.075 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.736 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -179.62 140.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.637 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -146.58 -170.73 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.963 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.31 125.92 37.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.382 1.051 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.027 HD13 HG21 ' A' ' 63' ' ' ILE . 2.9 pt -136.45 148.54 27.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.882 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -145.57 166.66 25.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.369 179.989 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.731 HD23 ' H ' ' A' ' 101' ' ' CYS . 1.1 pt? -60.37 -49.13 78.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.731 ' H ' HD23 ' A' ' 100' ' ' LEU . 4.1 t -62.3 -21.21 65.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 108.323 179.992 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.4 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 3.3 t0 -84.01 167.85 16.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.034 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -72.09 116.59 12.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.945 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.85 HD12 HG23 ' A' ' 74' ' ' VAL . 5.1 pt -163.15 136.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.236 179.961 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.52 ' O ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -158.85 155.99 25.86 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.57 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.97 7.91 2.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.444 1.76 . . . . 0.0 111.048 179.932 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.791 ' HD1' HD12 ' A' ' 85' ' ' LEU . 2.2 t90 74.95 -57.93 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 108.032 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.614 ' O ' HG23 ' A' ' 109' ' ' THR . 18.2 t70 -69.23 50.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 17.0 p -159.59 -49.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 110.402 -179.945 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.047 HD22 ' HB3' ' A' ' 114' ' ' GLN . 46.4 mt 5.19 -107.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.639 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.9 m 148.06 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.627 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 157.57 -62.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 12.0 m -52.15 -25.81 9.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.39 1.056 . . . . 0.0 110.328 -179.966 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.047 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -82.22 -37.65 25.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.952 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.667 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -68.21 -43.36 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.969 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.518 ' HZ1' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -63.57 -14.48 51.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.618 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -95.21 -25.89 16.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.977 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.762 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -63.07 -28.83 70.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.407 ' OD1' ' HA ' ' A' ' 116' ' ' LYS . 2.2 p-10 -88.89 -5.86 57.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.572 ' CG ' ' HB2' ' A' ' 124' ' ' MET . 1.4 m170 -90.83 31.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.443 ' C ' ' HG2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER 41.19 -95.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.247 179.97 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.707 ' O ' ' CG ' ' A' ' 122' ' ' TYR . 19.8 p90 -140.3 96.22 3.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 13' ' ' CYS . 2.2 tt0 54.0 65.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.572 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -66.11 59.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 110.98 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 53.79 23.47 22.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.03 -170.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.976 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.861 ' O ' HD21 ' A' ' 100' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 . . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.482 ' C ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -32.97 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 -179.942 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.695 ' H ' HD11 ' A' ' 100' ' ' LEU . 13.3 t -142.87 148.99 37.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 108.237 -179.927 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.4 p -71.68 110.91 8.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 179.927 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 3' ' ' CYS . 18.3 Cg_endo -75.0 86.09 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 111.025 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.752 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.8 p -108.25 -133.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.752 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 40.01 88.04 0.1 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 18.3 Cg_endo -75.02 -27.26 10.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.508 ' NE2' ' CE ' ' A' ' 116' ' ' LYS . 6.3 tp-100 -113.48 -28.99 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -73.04 -6.39 45.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.777 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -85.1 -35.52 21.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.88 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -91.15 6.14 46.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 1.4 m -115.17 -10.04 12.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.497 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.3 OUTLIER -104.42 -38.55 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.557 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.97 170.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.377 1.048 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.88 14.53 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.829 HG21 ' SD ' ' A' ' 96' ' ' MET . 12.4 p -165.87 89.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.0 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -100.68 117.58 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.556 ' C ' ' HA ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -144.26 125.0 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.954 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.658 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 12.5 ttp180 -76.16 39.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.841 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.5 t -60.12 168.67 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.349 -179.964 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.597 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.2 ptmt -123.12 120.37 33.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.783 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.47 98.42 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.913 HG12 HG11 ' A' ' 78' ' ' VAL . 6.7 m -101.5 -34.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.4 t -116.34 164.76 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.936 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.8 mp0 -150.13 -175.36 5.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.1 ttpt -153.27 113.48 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.482 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 2.7 tt0 -74.93 93.92 2.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.937 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.544 HG13 ' HG2' ' A' ' 27' ' ' LYS . 11.8 m -100.94 80.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.07 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.59 140.97 2.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.516 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.7 t -127.45 30.96 5.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.954 179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.71 -170.26 6.45 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.547 1.154 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.549 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 3.6 m-80 -83.69 164.71 19.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.6 t0 -95.19 -161.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.886 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.768 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -80.9 -0.0 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -107.09 -1.17 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.59 -7.5 80.76 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.549 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.6 p-10 -79.97 154.06 75.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.99 129.18 12.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 31' ' ' SER . 34.3 mt -73.0 -94.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.482 ' HE2' ' CG ' ' A' ' 28' ' ' GLU . 20.4 ttmt 71.18 121.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.653 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -125.04 68.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 -179.951 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.049 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -38.57 145.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.653 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 9.1 mm-40 -87.84 179.55 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 1.002 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.56 68.64 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.6 tt0 -63.34 69.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.841 HD12 ' CG2' ' A' ' 21' ' ' THR . 2.5 pt -66.07 -167.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.65 ' O ' ' O ' ' A' ' 49' ' ' GLN . 7.5 ttpt -133.11 13.29 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.65 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.3 tp-100 40.75 109.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.491 HG22 ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -118.08 -25.9 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -154.01 165.61 35.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.408 ' HG3' ' CG2' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -146.82 64.28 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 111.029 179.961 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 15.8 m-85 -39.94 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.582 ' CD ' ' HB3' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -123.39 73.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.955 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.04 -157.44 9.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.646 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.05 -171.95 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.425 1.75 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -92.73 -34.78 13.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 110.251 -179.996 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -79.71 -80.44 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.535 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t0 153.67 170.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.649 HG21 ' CG ' ' A' ' 96' ' ' MET . 1.3 mm -102.37 -74.82 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.541 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER 75.05 -8.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.26 179.966 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.584 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.9 m-85 -147.54 96.74 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.971 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -106.3 167.61 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.992 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.63 ' CE1' ' OE1' ' A' ' 44' ' ' GLN . 5.6 m-85 -118.52 150.52 39.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.971 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 4.9 t -165.1 -172.69 2.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.463 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.685 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -101.32 147.42 33.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.049 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.05 -160.25 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER 56.61 -171.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -68.87 54.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.96 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.825 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 56.08 96.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.95 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.66 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -103.16 -32.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.695 ' HA ' HD22 ' A' ' 100' ' ' LEU . 14.0 m -133.39 11.63 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 -179.965 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.825 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -151.95 -155.54 7.07 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.893 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.832 HG23 HD12 ' A' ' 104' ' ' ILE . 73.9 t -112.88 -3.76 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 0.8 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.511 ' O ' ' OG ' ' A' ' 75' ' ' SER . 0.0 OUTLIER 35.56 84.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.982 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.061 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.81 128.75 53.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.571 ' C ' ' H ' ' A' ' 79' ' ' GLY . 0.1 OUTLIER -115.55 -9.0 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.96 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.958 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.8 t 74.01 -18.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.571 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -72.8 -9.75 75.63 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.493 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -131.65 -31.25 0.51 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.554 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -96.95 -99.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.958 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.59 -68.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -157.84 163.23 38.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.113 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.8 p90 -147.14 151.79 37.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.816 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -82.42 2.72 31.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.167 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.113 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.7 OUTLIER 11.95 99.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.037 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.39 106.35 9.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.539 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.68 172.51 23.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.682 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 3.1 tttm -45.79 -31.11 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 82.43 179.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.591 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -131.08 -37.49 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 171.48 -132.39 2.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.13 134.93 54.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.94 1.89 75.08 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -173.16 139.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 0.778 . . . . 0.0 109.342 179.92 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.829 ' SD ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -139.85 -160.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 -179.995 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.2 125.87 22.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.187 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.014 HD12 HG13 ' A' ' 86' ' ' ILE . 2.5 pt -139.66 139.98 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -138.62 165.15 27.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.132 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.861 HD21 ' O ' ' A' ' 1' ' ' CYS . 1.2 pt? -58.51 -46.23 87.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 1.7 t -62.32 -32.6 73.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 108.327 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.426 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 13.0 t0 -73.99 165.49 25.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.037 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -70.59 116.39 10.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 111.063 179.999 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.832 HD12 HG23 ' A' ' 74' ' ' VAL . 7.0 pt -163.36 134.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.558 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.05 157.15 32.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.589 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.6 Cg_endo -74.94 10.47 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.816 ' HD1' HD12 ' A' ' 85' ' ' LEU . 1.8 t90 72.24 -59.77 0.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 107.977 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.629 ' O ' HG23 ' A' ' 109' ' ' THR . 67.2 t0 -68.33 51.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.671 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.4 p -158.72 -56.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.018 HD22 ' HB3' ' A' ' 114' ' ' GLN . 72.0 mt 13.31 -106.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.66 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 145.54 -41.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.606 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 159.11 -63.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.392 179.935 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.624 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 16.7 m -51.54 -23.19 3.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.183 . . . . 0.0 110.454 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.018 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -85.97 -37.96 18.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 110.346 -179.979 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.557 ' HG3' HD13 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -65.95 -42.11 90.41 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.624 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -60.11 -21.27 61.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.937 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.648 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -91.54 -12.24 35.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.055 179.982 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.595 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -85.43 -5.35 59.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.922 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.542 ' C ' ' OD1' ' A' ' 119' ' ' ASN . 0.1 OUTLIER -74.06 -57.21 4.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.73 ' CG ' ' HG2' ' A' ' 124' ' ' MET . 0.2 OUTLIER -67.45 -107.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.615 180.0 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.582 ' HB3' ' CD ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -147.81 -81.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.25 -179.997 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.472 ' HB3' ' CG ' ' A' ' 54' ' ' LYS . 29.0 p90 -134.79 8.16 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 111.011 -179.904 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.0 OUTLIER -157.8 73.57 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.73 ' HG2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -67.22 53.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 179.997 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 40.16 26.54 0.11 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 179.949 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 124' ' ' MET . 0.6 OUTLIER -65.13 -166.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.985 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.43 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 36.6 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.64 ' O ' ' CB ' ' A' ' 2' ' ' SER . 34.7 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 4.2 p 146.53 -12.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.937 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.457 ' O ' HD11 ' A' ' 100' ' ' LEU . 1.7 m -44.68 165.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -99.86 115.14 65.82 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 89.03 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.726 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.1 p -112.81 -132.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.726 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.7 OUTLIER 35.83 82.82 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.581 179.966 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.546 ' O ' HG22 ' A' ' 113' ' ' THR . 18.1 Cg_endo -75.03 8.63 2.34 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.9 OUTLIER -142.0 -45.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.644 HE22 ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -61.68 -8.59 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.811 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -81.67 -34.04 30.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.875 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -91.01 6.73 43.63 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 2.8 m -116.57 -10.18 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.968 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.644 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -103.4 -38.79 7.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.672 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -52.82 167.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -149.27 15.39 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 17' ' ' VAL . 12.2 p -164.96 82.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.013 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -96.08 120.52 45.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.702 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.8 pt -145.45 125.09 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.701 ' HD2' HD11 ' A' ' 50' ' ' ILE . 2.6 ttm180 -77.49 41.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.954 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.861 ' CG2' HD12 ' A' ' 47' ' ' ILE . 1.4 t -64.32 173.05 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 11.7 ptmt -125.06 119.43 28.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.89 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -95.37 101.02 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.031 HG12 HG11 ' A' ' 78' ' ' VAL . 17.0 m -106.94 -35.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.3 t -111.78 159.23 18.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 110.016 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 2.0 mp0 -146.76 -179.13 6.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.685 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 21.3 ttpt -148.24 116.12 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' CG ' ' NZ ' ' A' ' 41' ' ' LYS . 15.4 tt0 -76.04 98.23 4.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 29' ' ' VAL . 30.8 m -113.11 103.55 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.941 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.25 156.49 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.489 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.5 t -138.2 15.5 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.13 179.75 50.76 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.54 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.4 m120 -83.44 162.3 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.79 . . . . 0.0 109.378 179.93 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.7 t0 -94.69 -161.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.78 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.7 mp -80.19 1.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.39 -1.22 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.37 -8.55 76.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.571 1.169 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.54 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 10.1 p-10 -79.21 153.57 76.99 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.08 130.26 13.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.489 HG21 ' OG ' ' A' ' 31' ' ' SER . 87.0 mt -69.06 -82.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HG2' ' HG3' ' A' ' 67' ' ' PRO . 15.2 ttmm 70.98 128.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.63 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -133.24 65.6 1.58 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.596 1.185 . . . . 0.0 110.284 -179.962 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.914 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -36.63 151.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.685 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.4 mm-40 -92.02 177.61 6.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.977 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -134.65 67.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 -179.965 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 8.6 tt0 -63.12 69.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.292 -179.924 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.89 HG22 ' CA ' ' A' ' 23' ' ' ALA . 2.3 pt -66.77 -171.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.534 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.4 OUTLIER -125.83 0.27 7.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER 52.01 114.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.701 HD11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -124.6 -31.15 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -147.93 161.57 41.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.557 ' HA ' HG22 ' A' ' 19' ' ' ILE . 12.4 ptt? -145.23 71.28 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.008 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 21.8 m-85 -42.78 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.62 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -126.83 73.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.52 -159.07 9.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.471 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.0 Cg_endo -75.05 179.45 6.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.54 -34.54 35.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 -179.968 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -82.11 -80.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.8 t70 153.68 171.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.962 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.643 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.6 mm -97.24 -72.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.557 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER 74.09 -8.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.959 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -148.03 99.0 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.068 HG21 HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -106.31 170.21 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.593 ' CE2' ' OE1' ' A' ' 44' ' ' GLN . 6.0 m-85 -124.54 147.67 48.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.809 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 10.1 t -164.98 -164.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.485 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -99.81 155.04 36.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.914 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.5 Cg_endo -74.98 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.541 1.811 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.61 -176.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.75 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 41.6 t -46.33 -41.99 14.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . 155.24 114.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.613 ' CG2' ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -118.62 -46.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.672 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 4.2 m -114.95 10.19 16.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.36 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.646 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -155.32 -153.47 6.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.836 HG23 ' CD1' ' A' ' 104' ' ' ILE . 93.6 t -116.31 -4.08 11.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 34.92 86.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.994 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.044 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -103.85 131.25 51.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.578 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -111.16 -10.09 14.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.04 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.1 t 75.79 -45.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -55.84 -9.66 2.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.484 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -122.37 -28.24 1.51 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.524 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -108.51 -96.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.04 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 167.81 -75.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 16.0 mp0 -154.48 154.79 33.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.156 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.9 p90 -134.49 154.27 51.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.722 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.33 3.21 36.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.156 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 10.42 99.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 -179.941 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.013 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -122.7 108.92 13.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.583 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -141.14 179.59 19.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.559 1.162 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.1 mtpp -54.24 -30.45 50.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.39 178.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.525 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 13.0 tp10 -137.37 -42.96 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.595 ' O ' ' O ' ' A' ' 95' ' ' LYS . . . 165.37 126.89 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.593 ' C ' ' O ' ' A' ' 92' ' ' GLY . 1.5 m-20 -24.84 134.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 86.05 -3.92 86.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.454 1.096 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.643 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -176.54 140.83 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.702 ' HE3' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.3 -170.01 3.4 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.568 1.167 . . . . 0.0 111.08 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 128.21 44.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.608 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.068 HD13 HG21 ' A' ' 63' ' ' ILE . 2.1 pt -140.33 142.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -140.02 170.58 15.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.611 ' CD2' ' H2 ' ' A' ' 1' ' ' CYS . 0.6 OUTLIER -65.21 -44.23 89.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.935 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.481 ' H ' HD23 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -64.99 -22.27 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.957 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -84.69 167.86 15.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.957 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -72.36 117.21 13.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.586 1.179 . . . . 0.0 110.989 -179.964 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.836 ' CD1' HG23 ' A' ' 74' ' ' VAL . 7.2 pt -163.13 134.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.644 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.04 156.88 30.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.64 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.03 12.1 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.558 ' CE3' ' HD3' ' A' ' 20' ' ' ARG . 8.8 t90 70.36 -61.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.619 ' O ' HG23 ' A' ' 109' ' ' THR . 15.4 t70 -69.49 51.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 179.955 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.679 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.3 p -157.36 -57.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 -179.937 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.914 HD22 ' HB3' ' A' ' 114' ' ' GLN . 40.0 mt 9.87 -105.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.624 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 1.9 m 149.3 -42.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.024 -179.997 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.563 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 160.73 -67.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.427 1.079 . . . . 0.0 110.471 -179.99 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.552 ' N ' HG22 ' A' ' 112' ' ' THR . 1.4 m -49.68 -26.21 3.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.949 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.914 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -80.01 -37.11 34.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.635 ' HA ' HD23 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -68.41 -46.68 69.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.983 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.474 ' O ' ' NZ ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -62.19 -17.32 57.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.595 ' HA ' ' CD2' ' A' ' 120' ' ' HIS . 0.1 OUTLIER -102.34 -21.45 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.05 179.935 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.008 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -90.91 -16.69 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 120' ' ' HIS . 46.9 p30 -73.93 -23.31 59.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.595 ' CD2' ' HA ' ' A' ' 117' ' ' SER . 3.1 p80 -96.22 169.07 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.637 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.443 ' C ' ' HG2' ' A' ' 54' ' ' LYS . 1.2 mpt_? -37.16 -89.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.626 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 52.8 p90 -161.63 17.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.626 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 1.0 OUTLIER 164.17 53.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.569 1.168 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.533 ' HB2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -71.78 53.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 179.986 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.83 25.67 61.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.127 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.418 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -58.81 -170.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.994 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.992 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -176.89 48.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 179.972 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.681 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.8 m -56.48 -163.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 179.961 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.3 p -141.0 114.86 7.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' CB ' ' O ' ' A' ' 100' ' ' LEU . 18.2 Cg_endo -75.05 73.35 4.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.737 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.2 p -83.31 -133.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.737 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 33.41 91.85 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.597 179.974 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HB2' ' NE2' ' A' ' 114' ' ' GLN . 18.5 Cg_endo -74.96 1.08 8.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' HB2' HG22 ' A' ' 113' ' ' THR . 6.2 tp-100 -137.46 -41.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.556 ' CG ' ' CB ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -64.29 -9.41 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.739 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.79 -33.64 27.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.869 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.2 m-85 -91.05 3.8 53.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.388 1.055 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 2.2 m -112.67 -10.96 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 108.253 -179.966 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.47 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -102.12 -41.78 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.548 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -52.68 173.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 88' ' ' GLY . 4.4 m-20 -153.17 16.75 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.403 1.064 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 17' ' ' VAL . 14.0 p -164.45 83.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.038 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -97.27 119.56 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.595 HG22 ' HA ' ' A' ' 52' ' ' MET . 1.1 pt -146.6 124.06 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.62 ' HD2' ' CE3' ' A' ' 107' ' ' TRP . 13.6 ttp180 -76.1 41.33 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.915 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.5 t -62.42 170.2 2.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 110.435 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 15.9 ptmt -123.76 118.76 27.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.088 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.787 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -92.78 96.31 10.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.635 ' CG1' HG11 ' A' ' 78' ' ' VAL . 11.2 m -101.09 -34.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.507 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.8 t -115.53 163.78 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.8 mp0 -150.64 -179.18 7.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 18.7 ttpt -145.0 111.85 5.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.963 ' HG3' HD11 ' A' ' 43' ' ' ILE . 17.7 tt0 -73.26 94.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.437 ' CG1' ' HG2' ' A' ' 27' ' ' LYS . 23.2 m -111.59 122.69 66.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.249 -179.935 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.404 ' CG ' ' HZ1' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -71.96 155.93 39.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.999 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.525 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.0 t -137.86 23.73 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' ILE . . . 76.41 -179.51 48.44 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.9 m-20 -84.5 163.89 19.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.9 t0 -96.12 -161.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.782 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.95 0.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -109.19 -0.22 19.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.34 -9.5 72.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 8.9 p-10 -77.35 153.72 81.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.52 0.776 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.01 129.94 12.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.548 1.815 . . . . 0.0 110.969 -179.942 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 31' ' ' SER . 55.9 mt -66.08 -86.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 18.5 ttmm 74.55 128.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.994 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.694 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -131.18 65.36 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 110.257 -179.915 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.971 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.2 mp -35.77 142.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.694 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.7 mm-40 -84.59 178.01 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.894 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -135.58 68.22 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.4 tt0 -62.83 69.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.915 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.0 pt -65.79 -168.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.655 ' O ' ' O ' ' A' ' 49' ' ' GLN . 9.3 ttpt -131.82 14.39 4.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.655 ' O ' ' O ' ' A' ' 48' ' ' LYS . 1.3 tp-100 38.14 107.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.202 179.915 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.53 ' CD1' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -116.93 -27.62 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.957 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 19' ' ' ILE . 1.8 tttt -150.7 165.16 34.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.595 ' HA ' HG22 ' A' ' 19' ' ' ILE . 3.2 ptp -146.21 66.44 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.653 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 17.0 m-85 -42.61 -79.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.601 ' HB3' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -124.37 73.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.08 -157.45 9.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -74.96 -173.99 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.12 -35.33 21.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -84.5 -78.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.363 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 4.1 t70 153.94 171.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.788 HG23 ' N ' ' A' ' 95' ' ' LYS . 1.5 mm -97.58 -71.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.539 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 3.1 mt-10 73.19 -8.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 2.0 m-85 -144.97 95.98 2.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.001 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -102.22 167.0 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.643 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 5.7 m-85 -123.48 145.39 48.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 111.07 179.922 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.77 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.7 t -161.57 -167.54 1.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.438 179.981 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.534 ' HB3' ' H ' ' A' ' 72' ' ' CYS . . . -103.8 150.94 38.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.971 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 -159.94 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 111.051 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.433 ' C ' ' H ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 63.56 -159.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.045 -179.981 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.702 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 28.4 t -82.06 29.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.72 ' HB2' ' HB2' ' A' ' 75' ' ' SER . . . 86.85 96.46 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.501 HG22 ' HB1' ' A' ' 66' ' ' ALA . 0.7 OUTLIER -102.52 -36.6 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 99' ' ' THR . 48.0 m -132.69 22.92 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 108.275 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.636 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -158.06 -159.08 9.35 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.961 HG23 HD12 ' A' ' 104' ' ' ILE . 78.9 t -111.84 0.02 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.72 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 0.3 OUTLIER 28.2 81.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 180.0 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.948 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.62 129.44 49.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.242 -179.915 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.567 ' OD2' ' CE ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -106.43 -7.83 17.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.917 HG22 ' O ' ' A' ' 82' ' ' LYS . 2.5 t 69.83 -52.7 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -46.7 -15.62 0.16 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.488 ' HA3' ' HE2' ' A' ' 81' ' ' LYS . . . -118.35 -30.0 1.81 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.567 ' CE ' ' OD2' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -102.21 -94.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.917 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.99 -85.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.934 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.59 ' O ' ' O ' ' A' ' 106' ' ' PRO . 8.1 mp0 -151.12 149.82 29.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.162 ' CG ' HD13 ' A' ' 86' ' ' ILE . 2.0 p90 -127.04 154.12 45.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.827 HD12 ' HD1' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -85.23 5.41 30.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.368 179.943 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.162 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 8.4 102.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.048 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.36 109.71 13.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.569 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.0 -178.15 16.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.076 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 35.2 mtmt -60.24 -14.6 18.7 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.491 0.76 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.586 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 71.13 -177.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.528 ' HB2' ' HA ' ' A' ' 96' ' ' MET . 12.7 tp10 -128.95 -41.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.534 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.14 55.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.534 ' O ' ' O ' ' A' ' 92' ' ' GLY . 1.3 m-20 54.69 155.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.59 0.818 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 95' ' ' LYS . . . 63.53 -4.08 1.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.788 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -179.71 143.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.697 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -147.41 -171.47 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.932 -179.977 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.62 128.04 44.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.543 -179.942 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.001 HD13 HG21 ' A' ' 63' ' ' ILE . 6.3 pt -138.43 137.9 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.658 ' O ' HD11 ' A' ' 104' ' ' ILE . 5.0 p -139.42 163.17 33.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.397 179.936 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.681 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -63.66 -22.54 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.33 -24.45 29.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.441 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.9 t0 -87.27 172.78 9.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.048 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -72.5 118.54 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.961 -179.965 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.961 HD12 HG23 ' A' ' 74' ' ' VAL . 5.9 pt -164.89 136.99 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.557 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -157.94 156.53 28.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.59 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.4 Cg_endo -75.03 9.98 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.827 ' HD1' HD12 ' A' ' 85' ' ' LEU . 2.0 t90 71.84 -58.28 0.59 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 108.051 -179.961 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 109' ' ' THR . 51.6 t0 -68.57 51.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.708 ' O ' ' C ' ' A' ' 110' ' ' LEU . 10.8 p -159.16 -51.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.932 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.007 HD22 ' HB3' ' A' ' 114' ' ' GLN . 53.2 mt 5.88 -106.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.665 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 3.2 m 143.83 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 -179.944 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.611 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.88 -61.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.987 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.576 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.0 m -51.53 -23.71 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.007 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -87.46 -37.64 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.972 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.627 ' HG3' HD13 ' A' ' 110' ' ' LEU . 1.2 mtmt -67.31 -39.88 85.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.576 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -62.15 -14.08 33.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.591 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -98.86 -10.53 22.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 110.005 -179.988 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.653 HD22 ' CZ ' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -86.46 2.42 47.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.364 -179.981 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -78.07 -62.76 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -179.969 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.748 ' HB2' ' HG2' ' A' ' 124' ' ' MET . 10.5 m-70 -64.94 -97.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.645 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.56 ' CD ' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -160.83 -77.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.49 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 14.4 p90 -130.89 15.23 5.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 111.004 179.944 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.5 OUTLIER -170.9 75.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.232 179.952 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.748 ' HG2' ' HB2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -67.19 53.64 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.929 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 48.24 21.03 1.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.922 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 127' ' ' GLU . 0.6 OUTLIER -62.22 -167.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.959 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.405 ' N ' ' SG ' ' A' ' 126' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.608 ' SG ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 163.72 62.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.932 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -95.29 158.71 15.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.296 180.0 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.42 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 95.0 p -90.07 125.45 60.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.456 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.0 Cg_endo -75.06 96.23 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.449 1.763 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.74 HG13 ' N ' ' A' ' 7' ' ' HIS . 7.4 p -119.57 -132.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.917 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.74 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 38.45 82.01 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.59 -180.0 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 1.72 7.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.399 1.736 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.503 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 0.0 OUTLIER -135.94 -43.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.956 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.432 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -65.33 -6.37 9.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.765 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -84.2 -34.22 23.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.893 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.7 OUTLIER -92.49 9.53 34.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 1.5 m -119.42 -10.1 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.075 . . . . 0.0 108.325 -179.959 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.423 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.6 OUTLIER -104.48 -40.02 6.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.544 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.35 173.74 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -152.88 16.71 0.57 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.74 HG23 ' HD3' ' A' ' 56' ' ' PRO . 12.0 p -165.82 84.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.065 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -97.9 116.72 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.922 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.633 HD11 ' HE3' ' A' ' 96' ' ' MET . 0.8 OUTLIER -142.18 126.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.652 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 6.8 mtm180 -78.36 38.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.974 HG21 HD12 ' A' ' 47' ' ' ILE . 2.6 t -60.72 171.96 1.04 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 47' ' ' ILE . 16.1 ptmt -124.47 119.48 29.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.861 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.6 99.05 11.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.567 ' CG1' HG11 ' A' ' 78' ' ' VAL . 8.6 m -103.49 -35.33 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.521 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 2.5 t -113.97 163.12 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.606 1.191 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -145.38 -174.1 4.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 16.9 ttpt -152.96 119.05 5.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -78.4 93.51 4.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' HG2' ' A' ' 27' ' ' LYS . 12.2 m -102.75 99.69 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.536 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -49.7 147.56 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.653 ' OG ' HG21 ' A' ' 40' ' ' ILE . 1.2 t -133.86 16.12 3.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.29 -174.63 37.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 2.9 m-20 -83.7 165.19 19.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 0.786 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 38' ' ' ASN . 7.2 t0 -95.63 -161.16 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.765 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -81.51 0.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -108.46 -1.19 20.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.2 -8.75 77.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.3 p-10 -78.58 154.96 78.83 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.08 129.26 12.11 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.653 HG21 ' OG ' ' A' ' 31' ' ' SER . 48.1 mt -70.21 -83.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.542 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 70.21 122.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.588 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 3.2 ptt180 -130.87 71.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.414 1.071 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.817 HD13 ' HB3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -43.57 149.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 8.0 mm-40 -89.45 -175.3 4.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.881 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -137.26 69.36 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.984 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.521 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 10.5 tt0 -62.7 68.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.974 HD12 HG21 ' A' ' 21' ' ' THR . 3.1 pt -67.48 -175.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.377 179.931 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 49' ' ' GLN . 1.6 ttpt -119.39 -5.1 10.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.516 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 15.4 mm100 53.55 109.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.527 HD13 ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -119.21 -33.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.47 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -144.92 160.72 40.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.489 ' O ' ' CG ' ' A' ' 52' ' ' MET . 2.0 ptt? -141.58 69.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.108 ' CE2' HD22 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -36.46 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 111.026 179.964 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 18' ' ' VAL . 3.7 tptt -128.1 73.85 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -122.89 -166.15 12.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.383 1.052 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.74 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -75.01 -172.29 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.88 -32.31 13.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.65 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -72.58 -77.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.397 1.06 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.65 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 3.7 t70 144.32 163.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 -179.906 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.864 HG21 ' HG2' ' A' ' 96' ' ' MET . 0.8 OUTLIER -105.22 -77.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.512 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.3 OUTLIER 73.77 -7.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 110.284 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -143.99 98.85 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 179.992 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.017 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -103.85 172.44 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -122.93 156.04 35.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 111.059 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.874 HG21 ' CE2' ' A' ' 45' ' ' TYR . 4.9 t -176.63 -170.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.451 -179.949 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.506 ' N ' ' OG1' ' A' ' 65' ' ' THR . . . -88.16 155.48 52.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.817 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.6 Cg_endo -74.91 -60.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 111.044 179.952 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.535 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.5 OUTLIER -41.76 170.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.71 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 13.6 p -35.68 -40.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.782 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . 159.43 89.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.672 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.7 OUTLIER -96.82 -38.84 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.845 ' O ' HG22 ' A' ' 99' ' ' THR . 15.3 m -129.55 25.39 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 108.211 -179.888 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.782 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -165.21 -158.15 10.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.088 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.958 HG23 HD12 ' A' ' 104' ' ' ILE . 64.3 t -114.97 -11.92 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.489 ' CA ' ' OH ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 38.23 80.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.954 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -102.47 131.04 49.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.507 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.6 p30 -104.17 -7.75 19.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 82' ' ' LYS . 3.3 t 70.13 -52.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.84 -11.95 0.4 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 77' ' ' ASP . . . -120.25 -23.65 2.88 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -110.66 -92.0 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 109.366 179.913 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.73 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 168.33 -86.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.57 ' O ' ' O ' ' A' ' 106' ' ' PRO . 8.0 mp0 -150.96 147.33 27.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.17 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.8 p90 -124.64 154.88 40.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.746 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -84.67 4.19 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.933 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.17 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.08 102.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.065 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -128.48 108.98 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.569 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.11 174.04 23.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.642 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -44.19 -34.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.78 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.654 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . . . 81.16 176.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.518 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 7.1 tp10 -134.31 5.3 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.24 -119.31 2.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.92 142.88 49.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 77.4 -1.49 65.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -175.83 137.99 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 109.329 -179.971 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.864 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -142.81 -168.82 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.909 -179.964 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.85 130.83 45.75 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 0.0 109.551 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.017 HD13 HG21 ' A' ' 63' ' ' ILE . 14.1 pt -142.27 137.2 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.6 OUTLIER -135.3 160.96 36.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 110.466 179.995 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.709 HD23 ' H ' ' A' ' 101' ' ' CYS . 1.4 pt? -54.83 -49.02 72.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.709 ' H ' HD23 ' A' ' 100' ' ' LEU . 6.7 t -60.77 -31.32 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 108.324 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.46 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.6 t0 -73.9 166.99 22.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.038 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -70.83 118.07 13.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 179.983 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.958 HD12 HG23 ' A' ' 74' ' ' VAL . 4.0 pt -165.66 135.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.632 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.44 155.82 29.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.581 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.0 11.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.573 1.828 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.643 ' CZ2' ' NH1' ' A' ' 20' ' ' ARG . 11.0 t90 71.02 -59.09 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.652 ' O ' HG23 ' A' ' 109' ' ' THR . 21.2 t0 -68.81 51.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.684 ' O ' ' C ' ' A' ' 110' ' ' LEU . 6.5 p -159.19 -54.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.022 HD22 ' HB3' ' A' ' 114' ' ' GLN . 49.2 mt 8.66 -107.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.9 m 145.94 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.613 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 158.68 -64.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.17 . . . . 0.0 110.433 179.989 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.533 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 18.4 m -48.15 -22.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.022 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -89.12 -36.15 15.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.965 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 1.052 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -68.27 -39.03 82.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.533 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.58 -24.91 66.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 179.965 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -88.84 -11.91 43.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.958 -179.943 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.108 HD22 ' CE2' ' A' ' 53' ' ' PHE . 10.8 mt -84.65 -0.4 53.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -73.93 -57.21 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.631 ' CD2' ' HA ' ' A' ' 124' ' ' MET . 0.3 OUTLIER -69.25 -109.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.581 -179.979 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.597 ' HG2' ' C ' ' A' ' 120' ' ' HIS . 0.2 OUTLIER -146.89 -72.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.217 -179.895 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.473 ' HB3' ' CG ' ' A' ' 54' ' ' LYS . 14.6 p90 -137.19 8.23 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.3 OUTLIER -159.73 71.37 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.368 179.983 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.631 ' HA ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -66.89 55.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 111.058 179.987 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 39.88 26.73 0.1 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.904 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 124' ' ' MET . 0.5 OUTLIER -62.83 -170.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.953 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.989 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 1.044 ' H2 ' ' HA ' ' A' ' 72' ' ' CYS . 62.6 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 45.31 22.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 101' ' ' CYS . 1.6 m -64.89 174.02 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.7 p -121.34 107.2 37.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 179.982 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 126.82 10.17 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.762 HG13 ' N ' ' A' ' 7' ' ' HIS . 9.9 p -153.77 -134.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.762 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 32.28 85.38 0.15 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.075 . . . . 0.0 109.599 179.985 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 4.46 4.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.567 1.825 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' OE1' ' HE2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -137.83 -45.06 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -63.06 -7.21 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.86 -33.2 27.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.877 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -92.58 7.84 41.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.967 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 122' ' ' TYR . 1.8 m -117.9 -8.66 10.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 108.271 179.98 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.458 ' ND2' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -105.45 -39.22 6.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.943 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.597 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -53.77 171.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -151.43 16.52 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.791 HG23 ' HD3' ' A' ' 56' ' ' PRO . 11.2 p -164.95 84.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.006 HG13 ' HB2' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -98.05 119.27 45.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.955 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.604 HD11 ' HE3' ' A' ' 96' ' ' MET . 1.0 OUTLIER -145.74 125.46 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.245 -179.992 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.674 ' NH2' ' CH2' ' A' ' 107' ' ' TRP . 4.0 mtp180 -77.58 41.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 110.351 179.958 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.931 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.3 t -63.35 169.93 3.35 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.96 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HD3' ' CE ' ' A' ' 48' ' ' LYS . 15.1 ptmt -124.02 120.64 33.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.882 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -94.11 105.38 17.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.896 HG12 HG11 ' A' ' 78' ' ' VAL . 3.8 m -108.89 -37.45 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.52 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.6 t -111.83 164.29 13.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.9 mp0 -149.84 -177.98 6.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 19.9 ttpt -148.52 111.94 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.676 ' HG3' HD11 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -74.37 93.52 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 29' ' ' VAL . 32.6 m -109.0 101.84 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.462 ' CG ' ' HZ3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -56.63 151.28 14.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.963 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' ' OG ' ' A' ' 31' ' ' SER . 1.9 t -132.8 24.01 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' HG13 ' A' ' 40' ' ' ILE . . . 72.44 -177.07 40.83 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 1.2 m-80 -84.67 163.51 19.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.376 0.692 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.7 t0 -95.11 -161.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.8 mp -81.2 -0.46 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.228 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -107.18 -1.37 21.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.09 -8.65 77.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.43 1.081 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 7.9 p-10 -78.14 152.37 79.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 0.793 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.98 128.21 11.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.436 HG21 ' OG ' ' A' ' 31' ' ' SER . 24.4 mt -66.75 -89.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 20.6 ttmm 73.02 126.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.67 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -129.96 66.44 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.984 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.004 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.1 mp -37.2 143.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.67 ' NE2' ' O ' ' A' ' 42' ' ' ARG . 7.9 mm-40 -85.22 178.82 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.205 -179.883 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.971 ' CZ ' HD12 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -136.23 67.68 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.063 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.52 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 13.5 tt0 -62.51 69.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.931 HD12 ' CG2' ' A' ' 21' ' ' THR . 3.4 pt -67.56 -174.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 49' ' ' GLN . 10.0 ttpt -120.58 -3.78 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.494 ' HG3' ' OD2' ' A' ' 59' ' ' ASP . 14.2 mm100 52.95 111.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 179.94 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.432 ' CG2' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -119.5 -33.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.544 ' CD ' ' CZ ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -144.87 162.27 37.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.51 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -142.36 66.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.954 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 1.11 ' CE2' HD22 ' A' ' 118' ' ' LEU . 1.1 m-85 -35.0 -80.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.566 ' C ' ' HD2' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -127.93 73.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 17' ' ' VAL . . . -121.21 -161.35 11.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.791 ' HD3' HG23 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.96 -173.56 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.558 1.82 . . . . 0.0 110.999 179.947 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -91.74 -33.37 15.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.598 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -75.53 -85.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.944 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.598 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.5 t70 158.53 166.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.591 HG23 ' N ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -106.69 -80.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.237 -179.997 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 1.2 mt-10 72.85 -8.18 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.567 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 1.5 m-85 -141.85 91.58 2.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.936 HG21 HD13 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -99.86 172.07 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.643 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 8.8 m-85 -123.76 157.99 32.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.88 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 5.8 t -172.26 -168.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -105.1 150.8 39.2 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.004 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.02 -159.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER 55.9 -170.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 0.0 109.969 179.991 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.9 p -69.33 54.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.746 ' HB2' ' OG ' ' A' ' 75' ' ' SER . . . 56.12 100.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.536 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -109.13 -38.69 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 1.044 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 19.9 m -124.69 18.87 8.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.986 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.6 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -158.81 -158.09 8.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.05 HG23 HD12 ' A' ' 104' ' ' ILE . 21.9 t -111.37 2.3 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.746 ' OG ' ' HB2' ' A' ' 70' ' ' ALA . 86.3 p 29.91 84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.061 -179.954 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.156 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.59 133.89 49.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.482 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -123.38 0.24 8.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.03 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.3 t 71.56 -54.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.173 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.64 -12.44 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 78' ' ' VAL . . . -118.77 -32.14 1.35 Allowed Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.527 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -108.4 -94.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 0.765 . . . . 0.0 109.375 179.91 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.03 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 164.25 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.532 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -154.94 162.73 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.98 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.156 ' CE2' HD13 ' A' ' 76' ' ' LEU . 2.5 p90 -147.72 152.29 37.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.746 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -83.33 4.07 28.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.143 HD13 ' CG ' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.77 100.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.398 -179.958 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.041 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -125.24 107.3 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.238 -179.906 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.698 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -143.35 168.35 26.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.574 1.171 . . . . 0.0 110.961 179.942 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.687 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.8 tttm -39.41 -34.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 84.31 175.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.543 ' CB ' ' HA ' ' A' ' 96' ' ' MET . 10.5 tp10 -131.53 1.56 4.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 132.84 -123.2 3.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.75 142.69 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 60' ' ' ILE . . . 80.43 -6.8 59.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.591 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -173.11 145.53 1.35 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.694 ' SD ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.24 -169.75 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.981 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.69 131.11 51.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 -179.972 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.936 HD13 HG21 ' A' ' 63' ' ' ILE . 12.3 pt -141.57 136.11 31.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.713 ' O ' HD11 ' A' ' 104' ' ' ILE . 5.5 p -135.18 159.07 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.529 HD21 ' H ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -59.5 -25.93 64.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -78.54 -33.93 47.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.997 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.431 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 7.0 t0 -76.69 171.67 14.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.041 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -71.76 119.17 15.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.939 -179.972 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.05 HD12 HG23 ' A' ' 74' ' ' VAL . 4.2 pt -165.43 136.81 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.677 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -156.88 156.79 30.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.951 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.634 ' HD2' ' OG1' ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.98 11.44 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.674 ' CH2' ' NH2' ' A' ' 20' ' ' ARG . 14.4 t90 71.62 -61.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 107.981 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.67 ' O ' HG23 ' A' ' 109' ' ' THR . 24.7 t0 -69.74 52.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.695 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.9 p -158.83 -52.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.024 HD22 ' HB3' ' A' ' 114' ' ' GLN . 45.7 mt 5.77 -106.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.889 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.645 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.7 m 147.03 -42.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.8 OUTLIER 159.88 -63.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.925 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.517 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 21.2 m -50.16 -21.53 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.024 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -89.1 -36.05 15.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.906 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -68.75 -39.83 80.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 113' ' ' THR . 0.0 OUTLIER -61.62 -20.45 63.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -93.55 -11.14 32.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.038 -179.995 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.11 HD22 ' CE2' ' A' ' 53' ' ' PHE . 3.8 mt -88.15 1.17 54.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -73.96 -47.57 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.668 ' C ' ' HG2' ' A' ' 121' ' ' ARG . 8.1 m170 -79.18 -108.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.541 -179.926 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.668 ' HG2' ' C ' ' A' ' 120' ' ' HIS . 2.9 mtt-85 -148.45 -70.79 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.467 1.105 . . . . 0.0 110.259 179.978 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.455 ' HB3' ' CG ' ' A' ' 54' ' ' LYS . 39.0 p90 -136.92 8.73 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 125' ' ' GLY . 0.5 OUTLIER -162.05 72.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.938 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.599 ' HG2' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -66.99 55.53 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.967 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 123' ' ' GLN . . . 41.8 25.93 0.25 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.428 ' N ' ' C ' ' A' ' 124' ' ' MET . 0.5 OUTLIER -65.3 -171.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.985 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 . . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER 162.34 43.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 0.0 109.992 179.978 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.757 ' O ' HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -62.05 -176.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 108.298 179.983 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.8 p -132.71 127.94 20.66 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB3' ' O ' ' A' ' 100' ' ' LEU . 18.0 Cg_endo -75.06 109.02 2.85 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.468 1.772 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.755 HG13 ' N ' ' A' ' 7' ' ' HIS . 8.7 p -129.42 -134.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.755 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 33.98 91.01 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.606 179.959 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.458 ' CB ' ' NE2' ' A' ' 114' ' ' GLN . 18.1 Cg_endo -74.99 -7.81 19.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.646 ' NE2' ' HE3' ' A' ' 116' ' ' LYS . 1.5 tt0 -134.91 -44.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 5.7 mt-30 -58.06 -11.53 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.82 ' HB1' ' HB2' ' A' ' 103' ' ' PHE . . . -82.38 -36.53 26.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.886 ' CE1' ' CE1' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -87.01 -2.73 58.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.929 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' ' 123' ' ' GLN . 1.3 m -106.44 -15.52 14.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.248 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -95.65 -38.73 10.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.992 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.623 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . -54.65 170.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 88' ' ' GLY . 15.5 m-20 -152.84 17.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.622 HG23 ' HD3' ' A' ' 56' ' ' PRO . 7.1 p -166.3 81.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.016 HG13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.48 120.62 44.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.525 HG13 ' CG2' ' A' ' 21' ' ' THR . 0.8 OUTLIER -143.76 127.62 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.71 ' CD ' ' CE2' ' A' ' 53' ' ' PHE . 23.1 mtp180 -77.74 36.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.856 ' CG2' HD12 ' A' ' 47' ' ' ILE . 2.7 t -58.8 168.7 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 15.4 ptmt -126.43 118.91 25.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.847 ' CA ' HG22 ' A' ' 47' ' ' ILE . . . -90.55 104.12 16.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.799 ' CG1' HG11 ' A' ' 78' ' ' VAL . 2.4 m -106.16 -34.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.923 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.568 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 1.3 t -109.36 169.95 8.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 110.057 179.908 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.577 ' CG ' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -154.61 151.38 28.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.253 -179.989 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.711 ' HB3' ' HB2' ' A' ' 44' ' ' GLN . 17.5 ttpt -124.46 105.26 9.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 2.1 tt0 -72.6 92.41 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.936 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.43 HG13 ' HG2' ' A' ' 27' ' ' LYS . 32.7 m -106.03 126.13 61.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.481 ' CG ' ' HZ1' ' A' ' 41' ' ' LYS . 1.7 m-20 -69.66 161.06 30.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.429 ' O ' HD12 ' A' ' 40' ' ' ILE . 6.9 t -145.28 17.68 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.92 177.48 49.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.589 1.18 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.52 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 5.7 m120 -84.25 162.57 20.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ASN . 6.3 t0 -93.97 -162.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 mp -80.54 0.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -108.16 -1.16 20.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.7 -8.76 76.49 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.52 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 9.5 p-10 -78.83 153.22 77.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.06 129.57 12.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 31' ' ' SER . 43.3 mt -63.8 -80.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.66 ' CG ' ' HG3' ' A' ' 67' ' ' PRO . 10.7 tppt? 70.62 124.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.643 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -129.38 64.41 1.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.951 HD13 ' HB3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -35.13 144.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.711 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mm-40 -89.34 -179.95 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 1.05 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.6 OUTLIER -136.49 69.43 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.568 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 12.1 tt0 -64.74 68.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.917 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 1.013 HD11 ' O ' ' A' ' 60' ' ' ILE . 1.4 pt -64.82 -171.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -124.51 1.91 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.383 179.953 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.501 ' O ' ' O ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 53.17 113.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.536 HG23 ' HA ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -121.91 -33.34 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.511 ' HD2' ' CZ ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -151.98 166.0 32.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.935 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.424 ' HA ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -146.82 72.07 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.986 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.71 ' CE2' ' CD ' ' A' ' 20' ' ' ARG . 2.5 m-85 -43.79 -72.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -131.65 160.82 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 17' ' ' VAL . . . 130.65 -139.65 11.12 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.14 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.728 ' HG3' HD11 ' A' ' 60' ' ' ILE . 18.5 Cg_endo -74.96 -165.17 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.454 1.765 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -108.25 -34.53 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -69.65 -85.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 4.9 t70 160.22 163.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.013 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -120.21 72.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.483 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -71.52 -4.56 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' O ' ' HA ' ' A' ' 95' ' ' LYS . 5.6 m-85 -134.42 91.58 2.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 179.939 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.963 HG21 HD13 ' A' ' 98' ' ' ILE . 0.5 OUTLIER -97.81 169.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 7.8 m-85 -123.64 154.44 39.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 1.05 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 9.7 t -168.55 -161.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.661 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . . . -107.84 152.74 41.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.951 ' HB3' HD13 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.04 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.454 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 0.3 OUTLIER 63.26 -162.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 179.987 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.714 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 30.4 t -82.4 33.88 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . 86.58 90.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.351 -179.943 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.76 HG23 ' SG ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -101.54 -28.71 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.76 ' SG ' HG23 ' A' ' 71' ' ' VAL . 10.8 m -138.29 16.49 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.592 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -153.76 -151.88 5.89 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.932 HG23 HD12 ' A' ' 104' ' ' ILE . 82.9 t -118.62 -0.76 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 74' ' ' VAL . 84.2 p 31.67 87.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 179.949 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.107 HD13 ' CE2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -106.32 130.99 54.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.567 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -119.41 -8.1 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.383 179.938 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.968 HG22 ' O ' ' A' ' 82' ' ' LYS . 1.6 t 74.02 -15.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . -77.39 -9.97 86.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.481 ' CA ' ' HE2' ' A' ' 81' ' ' LYS . . . -130.33 -33.4 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.527 ' HZ1' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -97.01 -101.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.968 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER 165.63 -71.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.516 ' O ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -153.98 159.04 41.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.107 ' CE2' HD13 ' A' ' 76' ' ' LEU . 4.4 p90 -144.35 151.51 39.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.692 ' O ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -82.73 3.01 30.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.21 -179.907 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.1 HD13 ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER 9.64 105.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.957 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.02 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . . . -129.4 112.39 13.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.591 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -140.07 179.2 19.2 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.414 1.071 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.727 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 13.4 tttt -57.21 -28.28 62.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 0.821 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 89' ' ' LYS . . . 86.65 173.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.573 ' HB3' ' O ' ' A' ' 95' ' ' LYS . 4.5 tt0 -122.14 -39.26 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.227 -179.946 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 93' ' ' ASP . . . 154.14 52.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.159 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.612 ' C ' ' H ' ' A' ' 95' ' ' LYS . 1.5 t0 56.34 157.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.523 ' H ' HD13 ' A' ' 60' ' ' ILE . . . 66.83 -14.7 0.37 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.565 1.166 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.64 ' N ' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -174.14 139.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.609 0.829 . . . . 0.0 109.246 -179.924 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.946 ' HG2' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -140.29 -172.27 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.939 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 120.64 32.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.937 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.972 HD12 HG13 ' A' ' 86' ' ' ILE . 4.9 pt -131.8 132.61 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 72' ' ' CYS . 0.9 OUTLIER -132.73 163.9 27.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.757 HD11 ' O ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -55.98 -43.85 77.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.433 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -64.47 -33.23 75.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 108.295 -179.946 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.456 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 2.8 t70 -73.97 168.3 19.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.02 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -72.18 116.03 12.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.932 HD12 HG23 ' A' ' 74' ' ' VAL . 5.6 pt -162.96 132.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.611 HG23 HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -154.69 158.79 32.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.647 ' HG2' ' CG2' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.0 12.14 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.794 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.476 ' CZ2' ' CZ ' ' A' ' 20' ' ' ARG . 19.4 t90 70.57 -62.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.058 -179.928 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.562 ' O ' HG23 ' A' ' 109' ' ' THR . 31.0 t0 -70.6 52.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.682 ' O ' ' C ' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -156.03 -55.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.975 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.839 HD22 ' HB3' ' A' ' 114' ' ' GLN . 43.8 mt 8.95 -106.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 110' ' ' LEU . 2.5 m 147.31 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.937 179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.627 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.9 OUTLIER 157.11 -60.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 -179.962 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.762 HG23 ' HE2' ' A' ' 116' ' ' LYS . 23.0 m -54.52 -25.88 28.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.452 -179.965 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.839 ' HB3' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -82.15 -34.97 28.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.938 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.634 ' HA ' HD23 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -70.13 -45.3 67.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.762 ' HE2' HG23 ' A' ' 113' ' ' THR . 0.0 OUTLIER -63.35 -9.87 13.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.526 ' CB ' HE21 ' A' ' 9' ' ' GLN . 0.2 OUTLIER -107.7 -26.35 10.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.951 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.671 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -79.59 -20.32 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.94 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.592 ' C ' ' OD1' ' A' ' 119' ' ' ASN . 4.7 p30 -84.64 -19.59 32.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.571 ' CG ' ' CB ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -88.37 42.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.586 179.944 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 1.0 OUTLIER 65.46 -96.43 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.662 ' O ' ' HB2' ' A' ' 123' ' ' GLN . 25.5 p90 -151.35 10.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.936 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.662 ' HB2' ' O ' ' A' ' 122' ' ' TYR . 1.2 tt0 157.81 52.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.263 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.571 ' CB ' ' CG ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -71.59 54.26 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 111.044 179.983 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 126' ' ' CYS . . . 58.15 25.45 57.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.511 ' SG ' ' CG ' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -55.84 -169.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.951 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.091 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 stop_ save_